1-(4-methoxyphenyl)piperidin-4-amine

• ChemBase ID: 268197
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(cc2)OC)CCC(CC1)N
• Canonical SMILES: COc1ccc(cc1)N1CCC(CC1)N
• InChI: InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
• InChIKey: LLQPZJOXQGVEEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 259663-88-2
• MDL Number: MFCD08752981
• PubChem SID: 164324107
• PubChem CID: 24690205

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.02016
• LogD (pH = 7.4): -1.3524903
• Log P: 1.1347963
• Molar Refractivity: 62.3316 cm^3
• Polarizability: 23.995613 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50 - 52°C
• Hydrophobicity(logP): 1.016

Product Information

• Purity: 95%; 98%