(3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine

• ChemBase ID: 782074
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1(N2C[C@@H]([C@@H](CC2)N)OC)nc(C2CCCC2)ccn1
• Canonical SMILES: CO[C@H]1CN(CC[C@H]1N)c1nccc(n1)C1CCCC1
• InChI: InChI=1S/C15H24N4O/c1-20-14-10-19(9-7-12(14)16)15-17-8-6-13(18-15)11-4-2-3-5-11/h6,8,11-12,14H,2-5,7,9-10,16H2,1H3/t12-,14+/m1/s1
• InChIKey: UUYLUUIGJAJCDS-OCCSQVGLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine
• IUPAC Traditional name: (3S,4R)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine
• Synonyms: (3S*,4R*)-1-(4-cyclopentylpyrimidin-2-yl)-3-methoxypiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1788999
• LogD (pH = 7.4): -0.11659079
• Log P: 1.8008786
• Molar Refractivity: 79.5197 cm^3
• Polarizability: 30.61719 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.18
• LOG S: -2.07
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3