N-[1-(cyclohex-1-en-1-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 338760
• Molecular Formular: C19H29N3
• Molecular Mass: 299.45366
• Monoisotopic Mass: 299.23614794
• SMILES: N1(Cc2ncccc2)CCC(NC(C2=CCCCC2)C)CC1
• Canonical SMILES: CC(C1=CCCCC1)NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C19H29N3/c1-16(17-7-3-2-4-8-17)21-18-10-13-22(14-11-18)15-19-9-5-6-12-20-19/h5-7,9,12,16,18,21H,2-4,8,10-11,13-15H2,1H3
• InChIKey: RFQIEKYFSRHAEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohex-1-en-1-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-[1-(cyclohex-1-en-1-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: N-(1-cyclohex-1-en-1-ylethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1786333
• LogD (pH = 7.4): -0.08940886
• Log P: 2.6254327
• Molar Refractivity: 93.0148 cm^3
• Polarizability: 36.61422 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.51
• LOG S: -1.22
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5