{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methanamine

• ChemBase ID: 35842
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(CCc2ccc(cc2)OC)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C15H24N2O/c1-18-15-4-2-13(3-5-15)6-9-17-10-7-14(12-16)8-11-17/h2-5,14H,6-12,16H2,1H3
• InChIKey: DRLMMRGAPIWHGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methanamine
• IUPAC Traditional name: {1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methanamine
• Synonyms: {1-[2-(4-Methoxyphenyl)ethyl]piperidin-4-yl}methylamine

Database IDs

• MDL Number: MFCD07365296
• PubChem SID: 160999149
• PubChem CID: 24274903

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.6905274
• LogD (pH = 7.4): -2.9889767
• Log P: 1.717411
• Molar Refractivity: 76.0187 cm^3
• Polarizability: 29.848719 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false