1-(piperidin-1-ylmethyl)piperidin-2-one

• ChemBase ID: 86189
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: N1(C(=O)CCCC1)CN1CCCCC1
• Canonical SMILES: O=C1CCCCN1CN1CCCCC1
• InChI: InChI=1S/C11H20N2O/c14-11-6-2-5-9-13(11)10-12-7-3-1-4-8-12/h1-10H2
• InChIKey: XXNPGDNFOAYHCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)piperidin-2-one
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)piperidin-2-one
• Synonyms: 1-(piperidinomethyl)piperidin-2-one

Database IDs

• MDL Number: MFCD00277662
• PubChem SID: 162073305
• PubChem CID: 2797879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0963486
• LogD (pH = 7.4): 0.6037713
• Log P: 1.067747
• Molar Refractivity: 56.7262 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true