4-(pyrrolidine-1-carbonyl)piperidine hydrochloride

• ChemBase ID: 48988
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(N1CCCC1)C1CCNCC1.Cl
• Canonical SMILES: O=C(N1CCCC1)C1CCNCC1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10(12-7-1-2-8-12)9-3-5-11-6-4-9;/h9,11H,1-8H2;1H
• InChIKey: JVBSYPAMUFSLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidine-1-carbonyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(pyrrolidine-1-carbonyl)piperidine hydrochloride
• Synonyms: 4-(pyrrolidin-1-ylcarbonyl)piperidine hydrochloride; 4-Piperidinyl(1-pyrrolidinyl)methanone hydrochloride

Database IDs

• CAS Number: 35090-95-0
• MDL Number: MFCD09413281
• PubChem SID: 162053751
• PubChem CID: 17490807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2995331
• LogD (pH = 7.4): -2.7150962
• Log P: -0.07356084
• Molar Refractivity: 52.2319 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

• Hydrophobicity(logP): -0.966

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl