3-(aminomethyl)-1-methylpiperidin-2-one

• ChemBase ID: 309186
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(=O)N(CCCC1CN)C
• Canonical SMILES: NCC1CCCN(C1=O)C
• InChI: InChI=1S/C7H14N2O/c1-9-4-2-3-6(5-8)7(9)10/h6H,2-5,8H2,1H3
• InChIKey: UEIHATGUQHHREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-1-methylpiperidin-2-one
• IUPAC Traditional name: 3-(aminomethyl)-1-methylpiperidin-2-one
• Synonyms: 3-(aminomethyl)-1-methyl-2-piperidinone

Database IDs

• MDL Number: MFCD18917017

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6917756
• LogD (pH = 7.4): -2.4751623
• Log P: -0.7560312
• Molar Refractivity: 39.7623 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2