1-(piperidine-1-carbonyl)piperidin-4-amine

• ChemBase ID: 309696
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: C(=O)(N1CCC(CC1)N)N1CCCCC1
• Canonical SMILES: NC1CCN(CC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C11H21N3O/c12-10-4-8-14(9-5-10)11(15)13-6-2-1-3-7-13/h10H,1-9,12H2
• InChIKey: YNYJDOPTDSNUQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-1-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(piperidine-1-carbonyl)piperidin-4-amine
• Synonyms: 1-(1-piperidinylcarbonyl)-4-piperidinamine

Database IDs

• CAS Number: 775283-80-2
• MDL Number: MFCD18064608

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4254112
• LogD (pH = 7.4): -2.8564427
• Log P: -0.40758568
• Molar Refractivity: 60.2532 cm^3
• Polarizability: 23.405476 Å^3
• Polar Surface Area: 49.57 Å^2