8-(3-chloropyridin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 545425
• Molecular Formular: C14H20ClN3
• Molecular Mass: 265.7817
• Monoisotopic Mass: 265.13457534
• SMILES: N1(c2ncccc2Cl)CCC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)c1ncccc1Cl
• InChI: InChI=1S/C14H20ClN3/c1-17-8-4-14(11-17)5-9-18(10-6-14)13-12(15)3-2-7-16-13/h2-3,7H,4-6,8-11H2,1H3
• InChIKey: RVAYFDQERQHPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-chloropyridin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-(3-chloropyridin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 8-(3-chloropyridin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0044891
• LogD (pH = 7.4): 0.23740977
• Log P: 2.4539943
• Molar Refractivity: 76.3836 cm^3
• Polarizability: 29.09458 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.81
• LOG S: -2.53
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1