Molecule

Piperidine

AlkaPlorer ID: AK000502

Synonym: None

IUPAC Name: piperidine

SMILES: C1CCNCC1

InChI: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

InChIKey: NQRYJNQNLNOLGT-UHFFFAOYSA-N

PubChem CID: 8082

CAS: 110-89-4

LOTUS: LTS0191209

SuperNatural Ⅲ: SN0252713

NPASS: NPC21157

COCONUT: CNP0153358

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hordeum vulgare	Hordeum	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper longum	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Cannabis sativa	Cannabis	Cannabaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Portulacaria afra	Portulacaria	Didiereaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Saccharum officinarum	Saccharum	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 85.15

TPSA？: 12.03

MolLogP？: 0.7599

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus cereus	Bacillus cereus	IZ	13.0	mm	10.1016/j.ejmech.2014.10.005
Echinochloa crus-galli	Echinochloa crus-galli	mortality	nan	None	10.1021/jf102087c
Escherichia coli	Escherichia coli	IZ	11.0	mm	10.1016/j.ejmech.2014.10.005
Homo sapiens	Proton-coupled amino acid transporter 1	Ki	54000000.0	nM	10.1016/j.bmc.2011.08.058
Homo sapiens	Proton-coupled amino acid transporter 1	pKi	-1.73	mM	10.1016/j.bmc.2011.08.058
Homo sapiens	Thromboxane-A synthase	Inhibition	15.8	%	10.1021/jm00142a006
Rattus norvegicus	Neuronal acetylcholine receptor	Enhancement	22.0	%	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Inhibition	58.0	%	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Kd	120.0	nM	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Kd	69000.0	nM	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Kd	nan	nM	10.1021/jm00147a021
Rattus norvegicus	Neuronal acetylcholine receptor	Mean enhancement of binding	10.3	None	10.1021/jm00147a021
None	ADMET	pKa	9.0	None	10.1016/j.bmcl.2003.12.101
None	No relevant target	pKa	11.1	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	11.1	None	10.1021/acsmedchemlett.8b00656
None	No relevant target	pKa	11.1	None	10.1021/jm800219f
None	No relevant target	pKa	11.12	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	11.2	None	10.1021/jm300343m
None	No relevant target	T1/2	11.1	hr	10.1021/acs.jmedchem.8b01308

AKRT ID	Reaction	Reaction Link ID
AKRT001589	C1=NCCCC1>>C1CCNCC1	R09052
AKRT001595	C1CCNCC1.O=C([CoA])/C=C/C=C/c1ccc2c(c1)OCO2>>O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1	PIPERIDINE-N-PIPEROYLTRANSFERASE-RXN
AKRT024850	ON1CCCCC1>>C1CCNCC1	enzymemap_24288