4-(pyrrolidin-1-ylmethyl)piperidine

• ChemBase ID: 15745
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CC2CCNCC2)CCCC1
• Canonical SMILES: N1CCC(CC1)CN1CCCC1
• InChI: InChI=1S/C10H20N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h10-11H,1-9H2
• InChIKey: NMCMCSHJONWGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-1-ylmethyl)piperidine
• IUPAC Traditional name: 4-(pyrrolidin-1-ylmethyl)piperidine
• Synonyms: 4-(Pyrrolidin-1-ylmethyl)piperidine; 4-(1-pyrrolidinylmethyl)piperidine

Database IDs

• CAS Number: 683772-11-4
• MDL Number: MFCD05215177
• PubChem SID: 160979052
• PubChem CID: 16768347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.0216784
• LogD (pH = 7.4): -5.1020236
• Log P: 0.70032585
• Molar Refractivity: 52.5035 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.883

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%