1-(4-methoxyphenyl)-N-methylpiperidin-4-amine

• ChemBase ID: 267327
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(c2ccc(cc2)OC)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1ccc(cc1)OC
• InChI: InChI=1S/C13H20N2O/c1-14-11-7-9-15(10-8-11)12-3-5-13(16-2)6-4-12/h3-6,11,14H,7-10H2,1-2H3
• InChIKey: LVMISVZPIAWPIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-(4-methoxyphenyl)-N-methylpiperidin-4-amine
• Synonyms: 1-(4-methoxyphenyl)-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11640572
• PubChem SID: 164323237
• PubChem CID: 43314881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7082286
• LogD (pH = 7.4): -1.1911844
• Log P: 1.5673766
• Molar Refractivity: 67.1062 cm^3
• Polarizability: 25.840332 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.162

Product Information

• Purity: 95%