ethyl 6-[(4-aminocyclohexyl)oxy]pyridine-3-carboxylate

• ChemBase ID: 245980
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: c1(C(=O)OCC)cnc(OC2CCC(N)CC2)cc1
• Canonical SMILES: CCOC(=O)c1ccc(nc1)OC1CCC(CC1)N
• InChI: InChI=1S/C14H20N2O3/c1-2-18-14(17)10-3-8-13(16-9-10)19-12-6-4-11(15)5-7-12/h3,8-9,11-12H,2,4-7,15H2,1H3
• InChIKey: CDKVSCYFLSWNED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-[(4-aminocyclohexyl)oxy]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 6-[(4-aminocyclohexyl)oxy]pyridine-3-carboxylate
• Synonyms: ethyl 6-[(4-aminocyclohexyl)oxy]pyridine-3-carboxylate

Database IDs

• MDL Number: MFCD17388919
• PubChem SID: 164301890
• PubChem CID: 55115602

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1695813
• LogD (pH = 7.4): -0.8820841
• Log P: 1.8583148
• Molar Refractivity: 71.7929 cm^3
• Polarizability: 28.22895 Å^3
• Polar Surface Area: 74.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.109

Product Information

• Purity: 95%