1-methyl-4-(pyrrolidin-3-yl)piperidine

• ChemBase ID: 243387
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CCC(CC1)C1CNCC1)C
• Canonical SMILES: CN1CCC(CC1)C1CNCC1
• InChI: InChI=1S/C10H20N2/c1-12-6-3-9(4-7-12)10-2-5-11-8-10/h9-11H,2-8H2,1H3
• InChIKey: SCIGNRJWFLJIEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(pyrrolidin-3-yl)piperidine
• IUPAC Traditional name: 1-methyl-4-(pyrrolidin-3-yl)piperidine
• Synonyms: 1-methyl-4-(pyrrolidin-3-yl)piperidine

Database IDs

• MDL Number: MFCD20309231
• PubChem SID: 164299297
• PubChem CID: 64434666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.9712133
• LogD (pH = 7.4): -4.406062
• Log P: 0.5525833
• Molar Refractivity: 52.3805 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): 0.953

Product Information

• Purity: 95%