1-(azetidin-3-yl)piperidine

• ChemBase ID: 50410
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CNC2)CCCCC1
• Canonical SMILES: C1CCN(CC1)C1CNC1
• InChI: InChI=1S/C8H16N2/c1-2-4-10(5-3-1)8-6-9-7-8/h8-9H,1-7H2
• InChIKey: SRYMNAQUZAVQFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(azetidin-3-yl)piperidine
• IUPAC Traditional name: 1-(azetidin-3-yl)piperidine
• Synonyms: 1-(3-Azetidinyl)piperidine

Database IDs

• CAS Number: 138022-86-3
• MDL Number: MFCD09264396
• PubChem SID: 162055173
• PubChem CID: 19391152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.633024
• LogD (pH = 7.4): -1.5445251
• Log P: 0.5643743
• Molar Refractivity: 42.5557 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false