1-(piperidine-4-carbonyl)piperidine

• ChemBase ID: 15736
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: C(=O)(N1CCCCC1)C1CCNCC1
• Canonical SMILES: O=C(N1CCCCC1)C1CCNCC1
• InChI: InChI=1S/C11H20N2O/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13/h10,12H,1-9H2
• InChIKey: JFHHGGAQABVJIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-4-carbonyl)piperidine; 4-(piperidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-(piperidine-4-carbonyl)piperidine; 4-(piperidine-1-carbonyl)piperidine
• Synonyms: 1-(Piperidin-4-ylcarbonyl)piperidine; piperidino(4-piperidinyl)methanone; 1-[(piperidin-4-yl)carbonyl]piperidine; (Piperidin-1-yl)(Piperidin-4-yl)methanone; 1-(Piperidin-4-ylcarbonyl)piperidine 97%; 1-(piperidin-4-ylcarbonyl)piperidine hydrochloride

Database IDs

• CAS Number: 63214-58-4
• MDL Number: MFCD01580851; MFCD03372500
• PubChem SID: 160979043
• PubChem CID: 2794688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8549638
• LogD (pH = 7.4): -2.2705276
• Log P: 0.37100783
• Molar Refractivity: 56.8329 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.674
• Hydrophobicity(logP): -0.407

Safety Information

• Storage Warning: Corrosive/Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%
• Salt Data: HCl