2,2,6,6-tetramethyl-N-{1-[4-(1H-pyrazol-1-yl)phenyl]piperidin-4-yl}piperidin-4-amine

• ChemBase ID: 452545
• Molecular Formular: C23H35N5
• Molecular Mass: 381.5575
• Monoisotopic Mass: 381.28924615
• SMILES: n1(nccc1)c1ccc(N2CCC(NC3CC(NC(C3)(C)C)(C)C)CC2)cc1
• Canonical SMILES: CC1(C)CC(NC2CCN(CC2)c2ccc(cc2)n2cccn2)CC(N1)(C)C
• InChI: InChI=1S/C23H35N5/c1-22(2)16-19(17-23(3,4)26-22)25-18-10-14-27(15-11-18)20-6-8-21(9-7-20)28-13-5-12-24-28/h5-9,12-13,18-19,25-26H,10-11,14-17H2,1-4H3
• InChIKey: NUGZPKUJHYFOEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-{1-[4-(1H-pyrazol-1-yl)phenyl]piperidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-{1-[4-(pyrazol-1-yl)phenyl]piperidin-4-yl}piperidin-4-amine
• Synonyms: 2,2,6,6-tetramethyl-N-{1-[4-(1H-pyrazol-1-yl)phenyl]piperidin-4-yl}piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3837173
• LogD (pH = 7.4): -1.4430537
• Log P: 2.848928
• Molar Refractivity: 117.2751 cm^3
• Polarizability: 45.965565 Å^3
• Polar Surface Area: 45.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.65
• LOG S: -4.09
• Polar Surface Area: 45.12 Å^2
• Rotatable Bonds: 4