1-(azetidin-3-yl)-2-methylpiperidine

• ChemBase ID: 143859
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: CC1CCCCN1C1CNC1
• Canonical SMILES: CC1CCCCN1C1CNC1
• InChI: InChI=1S/C9H18N2/c1-8-4-2-3-5-11(8)9-6-10-7-9/h8-10H,2-7H2,1H3
• InChIKey: NIIXLZXTTXFBNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(azetidin-3-yl)-2-methylpiperidine
• IUPAC Traditional name: 1-(azetidin-3-yl)-2-methylpiperidine
• Synonyms: 1-(3-Azetidinyl)-2-methylpiperidine; 1-(3-azetidinyl)-2-methylpiperidine

Database IDs

• CAS Number: 959239-81-7
• MDL Number: MFCD09864484
• PubChem SID: 162238076
• PubChem CID: 45791159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.237245
• LogD (pH = 7.4): -1.1628737
• Log P: 0.98094934
• Molar Refractivity: 46.9745 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

• Empirical Formula (Hill Notation): C9H18N2

DETAILS

Sigma Aldrich - CBR00502

Other Notes
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Legal Information
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