N-cyclopropyl-1-[4-(1H-imidazol-1-yl)phenyl]piperidin-4-amine

• ChemBase ID: 382249
• Molecular Formular: C17H22N4
• Molecular Mass: 282.38338
• Monoisotopic Mass: 282.18444672
• SMILES: n1(cncc1)c1ccc(N2CCC(NC3CC3)CC2)cc1
• Canonical SMILES: c1ncn(c1)c1ccc(cc1)N1CCC(CC1)NC1CC1
• InChI: InChI=1S/C17H22N4/c1-2-14(1)19-15-7-10-20(11-8-15)16-3-5-17(6-4-16)21-12-9-18-13-21/h3-6,9,12-15,19H,1-2,7-8,10-11H2
• InChIKey: QFHDSCWSJYSSMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[4-(1H-imidazol-1-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-cyclopropyl-1-[4-(imidazol-1-yl)phenyl]piperidin-4-amine
• Synonyms: N-cyclopropyl-1-[4-(1H-imidazol-1-yl)phenyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8853494
• LogD (pH = 7.4): -0.6644248
• Log P: 1.9537768
• Molar Refractivity: 95.8026 cm^3
• Polarizability: 33.376923 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.91
• LOG S: -1.88
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4