Pelletierine; (±)-form, N-Me 

AlkaPlorer ID: AK309539

Synonym: Methylisopelletierine, α-N-Methylpelletierin-β-one, Methylpelletierine 

IUPAC Name: 1-(1-methylpiperidin-2-yl)propan-2-one

Structure

SMILES: CC(=O)CC1CCCCN1C

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InChI: InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3

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InChIKey: TYHJMEIBGDDCPA-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 155.241

TPSA: 20.31

MolLogP: 1.4498

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002240 CC(=O)CC1CCCCN1C>>CN1C2CCCC1CC(=O)C2 R08425