1-(piperidine-4-carbonyl)piperidine hydrochloride

• ChemBase ID: 48991
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: C(=O)(N1CCCCC1)C1CCNCC1.Cl
• Canonical SMILES: O=C(N1CCCCC1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H
• InChIKey: BFMOLOSQRJILGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-4-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 1-(piperidine-4-carbonyl)piperidine hydrochloride
• Synonyms: 1-Piperidinyl(4-piperidinyl)methanone hydrochloride; 1-(piperidin-4-ylcarbonyl)piperidine hydrochloride

Database IDs

• CAS Number: 278598-12-2; 63214-58-4
• MDL Number: MFCD01580851
• PubChem SID: 162053754
• PubChem CID: 17385515

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.854966
• 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

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): -0.407

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl