4-(azetidin-1-yl)piperidine

• ChemBase ID: 799554
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: C1(CCNCC1)N1CCC1
• Canonical SMILES: N1CCC(CC1)N1CCC1
• InChI: InChI=1S/C8H16N2/c1-6-10(7-1)8-2-4-9-5-3-8/h8-9H,1-7H2
• InChIKey: DDOFLXMWWKLMSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 686298-29-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.861815
• LogD (pH = 7.4): -3.645909
• Log P: -0.27763754
• Molar Refractivity: 43.0409 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%