2,6-bis(hydroxymethyl)-1-methylpiperidine-3,5-diol

AlkaPlorer ID: AK094480

Synonym: None

IUPAC Name: (2R,3R,5S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,5-diol

Structure

SMILES: CN1[C@H](CO)[C@H](O)C[C@H](O)[C@H]1CO

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InChI: InChI=1S/C8H17NO4/c1-9-5(3-10)7(12)2-8(13)6(9)4-11/h5-8,10-13H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1

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InChIKey: CDGKBGOAPNEEAH-XUTVFYLZSA-N

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Source

Properties Information

Molecule Weight: 191.227

TPSA: 84.16000000000001

MolLogP: -2.2345

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None Unchecked IC50 20000.0 nM 10.1016/j.bmc.2013.07.048

Metabolism Information