1-propyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

• ChemBase ID: 374207
• Molecular Formular: C15H27N3S
• Molecular Mass: 281.45998
• Monoisotopic Mass: 281.19256888
• SMILES: n1c(csc1CCC)CNC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)NCc1csc(n1)CCC
• InChI: InChI=1S/C15H27N3S/c1-3-5-15-17-14(12-19-15)11-16-13-6-9-18(8-4-2)10-7-13/h12-13,16H,3-11H2,1-2H3
• InChIKey: ZIVOTCITFCRIAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-propyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
• Synonyms: 1-propyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.963984
• LogD (pH = 7.4): 0.06314936
• Log P: 2.446165
• Molar Refractivity: 82.3845 cm^3
• Polarizability: 32.44149 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.53
• LOG S: -2.4
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 7