1-benzoylpiperidin-3-amine

• ChemBase ID: 308409
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: N1(C(=O)c2ccccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)C(=O)c1ccccc1
• InChI: InChI=1S/C12H16N2O/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13H2
• InChIKey: QXZQTLCDKRVYKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoylpiperidin-3-amine
• IUPAC Traditional name: 1-benzoylpiperidin-3-amine
• Synonyms: 1-benzoyl-3-piperidinamine

Database IDs

• CAS Number: 1114596-54-1
• MDL Number: MFCD11053971

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0395856
• LogD (pH = 7.4): -1.0379862
• Log P: 0.939819
• Molar Refractivity: 60.0908 cm^3
• Polarizability: 23.16495 Å^3
• Polar Surface Area: 46.33 Å^2