4-[3-(pyrrolidin-1-yl)propyl]piperidine

• ChemBase ID: 242344
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CCCC2CCNCC2)CCCC1
• Canonical SMILES: N1CCC(CC1)CCCN1CCCC1
• InChI: InChI=1S/C12H24N2/c1-2-10-14(9-1)11-3-4-12-5-7-13-8-6-12/h12-13H,1-11H2
• InChIKey: RSYRVTHYFRNCSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(pyrrolidin-1-yl)propyl]piperidine
• IUPAC Traditional name: 4-[3-(pyrrolidin-1-yl)propyl]piperidine
• Synonyms: 4-[3-(pyrrolidin-1-yl)propyl]piperidine

Database IDs

• MDL Number: MFCD16693180
• PubChem SID: 164298254
• PubChem CID: 62211827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.173444
• LogD (pH = 7.4): -3.7539303
• Log P: 1.5115094
• Molar Refractivity: 61.7825 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.941

Product Information

• Purity: 95%