4-(2-methylpyrrolidin-1-yl)piperidine

• ChemBase ID: 241354
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(C2CCNCC2)C(CCC1)C
• Canonical SMILES: CC1CCCN1C1CCNCC1
• InChI: InChI=1S/C10H20N2/c1-9-3-2-8-12(9)10-4-6-11-7-5-10/h9-11H,2-8H2,1H3
• InChIKey: WYSNSNBDMIDQDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylpyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 4-(2-methylpyrrolidin-1-yl)piperidine
• Synonyms: 4-(2-methylpyrrolidin-1-yl)piperidine

Database IDs

• MDL Number: MFCD12814419
• PubChem SID: 164297264
• PubChem CID: 57445886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.344037
• LogD (pH = 7.4): -3.4117079
• Log P: 0.6563001
• Molar Refractivity: 52.1043 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.693

Product Information

• Purity: 95%