N-(3-methoxyphenyl)piperidin-4-amine

• ChemBase ID: 273068
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N(c1cc(OC)ccc1)C1CCNCC1
• Canonical SMILES: COc1cccc(c1)NC1CCNCC1
• InChI: InChI=1S/C12H18N2O/c1-15-12-4-2-3-11(9-12)14-10-5-7-13-8-6-10/h2-4,9-10,13-14H,5-8H2,1H3
• InChIKey: TWBBGXRQAIQTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)piperidin-4-amine
• IUPAC Traditional name: N-(3-methoxyphenyl)piperidin-4-amine
• Synonyms: N-(3-methoxyphenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD06740346
• PubChem SID: 164328978
• PubChem CID: 7148673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2876256
• LogD (pH = 7.4): -1.5634178
• Log P: 0.93211085
• Molar Refractivity: 62.8714 cm^3
• Polarizability: 23.997553 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.356

Product Information

• Purity: 95%