4-(3-methylazetidin-1-yl)piperidine

• ChemBase ID: 799553
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1(CCNCC1)N1CC(C1)C
• Canonical SMILES: CC1CN(C1)C1CCNCC1
• InChI: InChI=1S/C9H18N2/c1-8-6-11(7-8)9-2-4-10-5-3-9/h8-10H,2-7H2,1H3
• InChIKey: MUQXCHGLMDDJBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 864494-21-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.485365
• LogD (pH = 7.4): -3.2724898
• Log P: 0.20168601
• Molar Refractivity: 47.4573 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%