4-(2-chlorophenoxy)-1-(1,3-thiazol-4-ylmethyl)piperidine

• ChemBase ID: 370878
• Molecular Formular: C15H17ClN2OS
• Molecular Mass: 308.82628
• Monoisotopic Mass: 308.07501185
• SMILES: n1c(csc1)CN1CCC(Oc2c(Cl)cccc2)CC1
• Canonical SMILES: Clc1ccccc1OC1CCN(CC1)Cc1cscn1
• InChI: InChI=1S/C15H17ClN2OS/c16-14-3-1-2-4-15(14)19-13-5-7-18(8-6-13)9-12-10-20-11-17-12/h1-4,10-11,13H,5-9H2
• InChIKey: MMPKCYWXRPOHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorophenoxy)-1-(1,3-thiazol-4-ylmethyl)piperidine
• IUPAC Traditional name: 4-(2-chlorophenoxy)-1-(1,3-thiazol-4-ylmethyl)piperidine
• Synonyms: 4-(2-chlorophenoxy)-1-(1,3-thiazol-4-ylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7530282
• LogD (pH = 7.4): 2.8432262
• Log P: 2.911163
• Molar Refractivity: 82.0759 cm^3
• Polarizability: 32.11224 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.71
• LOG S: -2.76
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4