1-(pyrrolidine-2-carbonyl)piperidine hydrochloride

• ChemBase ID: 48904
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(N1CCCCC1)C1NCCC1.Cl
• Canonical SMILES: O=C(N1CCCCC1)C1CCCN1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10(9-5-4-6-11-9)12-7-2-1-3-8-12;/h9,11H,1-8H2;1H
• InChIKey: DLDZDJKHBWTGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-2-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 1-(pyrrolidine-2-carbonyl)piperidine hydrochloride
• Synonyms: 1-Piperidinyl(2-pyrrolidinyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD13562151
• PubChem SID: 162053667
• PubChem CID: 56831883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.813338
• LogD (pH = 7.4): -1.9646587
• 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false