(1-cyclopropanecarbonylpiperidin-3-yl)methanamine

• ChemBase ID: 307145
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)C2CC2)CC(CN)CCC1
• Canonical SMILES: NCC1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C10H18N2O/c11-6-8-2-1-5-12(7-8)10(13)9-3-4-9/h8-9H,1-7,11H2
• InChIKey: HABOPQWLLMHQMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropanecarbonylpiperidin-3-yl)methanamine
• IUPAC Traditional name: (1-cyclopropanecarbonylpiperidin-3-yl)methanamine
• Synonyms: 1-[1-(cyclopropylcarbonyl)piperidin-3-yl]methanamine

Database IDs

• CAS Number: 915924-36-6
• MDL Number: MFCD08059854

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.099115
• LogD (pH = 7.4): -2.3859148
• Log P: -0.0898047
• Molar Refractivity: 51.7595 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 46.33 Å^2