1-(piperidine-2-carbonyl)piperidine hydrochloride

• ChemBase ID: 48933
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: C(=O)(N1CCCCC1)C1NCCCC1.Cl
• Canonical SMILES: O=C(C1CCCCN1)N1CCCCC1.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c14-11(10-6-2-3-7-12-10)13-8-4-1-5-9-13;/h10,12H,1-9H2;1H
• InChIKey: BZSQGJIOTRLXPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-2-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 1-(piperidine-2-carbonyl)piperidine hydrochloride
• Synonyms: piperidino(2-piperidinyl)methanone hydrochloride; 1-Piperidinyl(2-piperidinyl)methanone hydrochloride

Database IDs

• CAS Number: 16783-69-0
• MDL Number: MFCD06407996
• PubChem SID: 162053696
• PubChem CID: 2794695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.171844
• LogD (pH = 7.4): -0.6606745
• Log P: 0.8382029
• Molar Refractivity: 56.4229 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%