4-amino-N-cyclohexylpiperidine-1-carboxamide

• ChemBase ID: 308556
• Molecular Formular: C12H23N3O
• Molecular Mass: 225.33052
• Monoisotopic Mass: 225.18411237
• SMILES: C(=O)(N1CCC(CC1)N)NC1CCCCC1
• Canonical SMILES: NC1CCN(CC1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C12H23N3O/c13-10-6-8-15(9-7-10)12(16)14-11-4-2-1-3-5-11/h10-11H,1-9,13H2,(H,14,16)
• InChIKey: WFZQUKAHIZQDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-cyclohexylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-amino-N-cyclohexylpiperidine-1-carboxamide
• Synonyms: 4-amino-N-cyclohexyl-1-piperidinecarboxamide

Database IDs

• CAS Number: 926264-79-1
• MDL Number: MFCD07392819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.700183
• LogD (pH = 7.4): -2.1312144
• Log P: 0.31764266
• Molar Refractivity: 64.2287 cm^3
• Polarizability: 25.245182 Å^3
• Polar Surface Area: 58.36 Å^2