4-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 15737
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1CN(CC1)C(=O)C1CCNCC1
• Canonical SMILES: O=C(N1CCCC1)C1CCNCC1
• InChI: InChI=1S/C10H18N2O/c13-10(12-7-1-2-8-12)9-3-5-11-6-4-9/h9,11H,1-8H2
• InChIKey: JQCRUYLUQJNZIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 4-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 4-piperidinyl(1-pyrrolidinyl)methanone; 4-(Pyrrolidin-1-ylcarbonyl)piperidine; 4-(pyrrolidin-1-ylcarbonyl)piperidine hydrochloride; 4-[(Pyrrolidin-1-yl)carbonyl]piperidine; 1-[(Piperidin-4-yl)carbonyl]pyrrolidine; (Piperidin-4-yl)(pyrrolidin-1-yl)methanone; Piperidin-4-yl(pyrrolidin-1-yl)methanone

Database IDs

• CAS Number: 35090-95-0
• MDL Number: MFCD03372520; MFCD09413281
• PubChem SID: 160979044
• PubChem CID: 1520212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2995322
• 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

• Melting Point: 45-47°C
• Boiling Point: 112-114°C/0.3mm
• Partition Coefficient: 0.232

Safety Information

• Storage Warning: Corrosive/Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%
• Salt Data: HCl