{4-[4-(3-phenylpropyl)piperazin-1-yl]pyridin-2-yl}methanol

• ChemBase ID: 496652
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: N1(c2cc(ncc2)CO)CCN(CC1)CCCc1ccccc1
• Canonical SMILES: OCc1nccc(c1)N1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C19H25N3O/c23-16-18-15-19(8-9-20-18)22-13-11-21(12-14-22)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,23H,4,7,10-14,16H2
• InChIKey: ZUSUCWBTMPPCIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(3-phenylpropyl)piperazin-1-yl]pyridin-2-yl}methanol
• IUPAC Traditional name: {4-[4-(3-phenylpropyl)piperazin-1-yl]pyridin-2-yl}methanol
• Synonyms: {4-[4-(3-phenylpropyl)piperazin-1-yl]pyridin-2-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.236269
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3530656
• LogD (pH = 7.4): 0.9318855
• Log P: 2.4825618
• Molar Refractivity: 94.6421 cm^3
• Polarizability: 36.24289 Å^3
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.85
• LOG S: -2.04
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 6