4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyridine

• ChemBase ID: 865611
• Molecular Formular: C14H21N3
• Molecular Mass: 231.33664
• Monoisotopic Mass: 231.17354769
• SMILES: N1(CC(N2C(C)CCCC2)C1)c1ccncc1
• Canonical SMILES: CC1CCCCN1C1CN(C1)c1ccncc1
• InChI: InChI=1S/C14H21N3/c1-12-4-2-3-9-17(12)14-10-16(11-14)13-5-7-15-8-6-13/h5-8,12,14H,2-4,9-11H2,1H3
• InChIKey: IKNHOOVJGLTAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyridine
• IUPAC Traditional name: 4-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyridine
• Synonyms: 4-[3-(2-methyl-1-piperidinyl)-1-azetidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.7450943
• LogD (pH = 7.4): 0.16427654
• Log P: 2.037445
• Molar Refractivity: 70.6108 cm^3
• Polarizability: 27.218937 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.24
• LOG S: -1.79
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 2