1-(pyrrolidin-3-ylmethyl)piperidine

• ChemBase ID: 283062
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CC2CNCC2)CCCCC1
• Canonical SMILES: C1CCN(CC1)CC1CNCC1
• InChI: InChI=1S/C10H20N2/c1-2-6-12(7-3-1)9-10-4-5-11-8-10/h10-11H,1-9H2
• InChIKey: ZXFYBZCIHVSELR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-ylmethyl)piperidine
• IUPAC Traditional name: 1-(pyrrolidin-3-ylmethyl)piperidine
• Synonyms: 1-(pyrrolidin-3-ylmethyl)piperidine

Database IDs

• MDL Number: MFCD09036033
• PubChem SID: 180668593
• PubChem CID: 23009454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4934797
• LogD (pH = 7.4): -3.7061722
• Log P: 0.7418826
• Molar Refractivity: 52.4047 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

Product Information

• Purity: 95%