2-(pyrrolidine-1-carbonyl)piperidine hydrochloride

• ChemBase ID: 48930
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(N1CCCC1)C1NCCCC1.Cl
• Canonical SMILES: O=C(N1CCCC1)C1CCCCN1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9;/h9,11H,1-8H2;1H
• InChIKey: RIAUQORBEIQABE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidine-1-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(pyrrolidine-1-carbonyl)piperidine hydrochloride
• Synonyms: 2-[(pyrrolidin-1-yl)carbonyl]piperidine hydrochloride; 2-Piperidinyl(1-pyrrolidinyl)methanone hydrochloride

Database IDs

• CAS Number: 690634-81-2
• MDL Number: MFCD06407992
• PubChem SID: 162053693
• PubChem CID: 2794693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6164126
• LogD (pH = 7.4): -1.1052432
• Log P: 0.39363423
• Molar Refractivity: 51.8219 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 - 227°C
• Hydrophobicity(logP): 0.752

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%