dimethyl({4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]phenyl}methyl)amine

• ChemBase ID: 459849
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: c1(C(=O)N2C(c3ccc(CN(C)C)cc3)CCCC2)c(ncs1)C
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCCN1C(=O)c1scnc1C)C
• InChI: InChI=1S/C19H25N3OS/c1-14-18(24-13-20-14)19(23)22-11-5-4-6-17(22)16-9-7-15(8-10-16)12-21(2)3/h7-10,13,17H,4-6,11-12H2,1-3H3
• InChIKey: JZRZYQUAUXHDCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]phenyl}methyl)amine
• IUPAC Traditional name: dimethyl({4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]phenyl}methyl)amine
• Synonyms: N,N-dimethyl-1-(4-{1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-2-piperidinyl}phenyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.38711616
• LogD (pH = 7.4): 1.2431558
• Log P: 2.7698436
• Molar Refractivity: 99.4813 cm^3
• Polarizability: 37.825966 Å^3
• Polar Surface Area: 36.44 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: 1.45
• LOG S: -2.94
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4