1-(3-methoxyphenyl)piperidin-4-amine

• ChemBase ID: 265212
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2cc(OC)ccc2)CCC(CC1)N
• Canonical SMILES: COc1cccc(c1)N1CCC(CC1)N
• InChI: InChI=1S/C12H18N2O/c1-15-12-4-2-3-11(9-12)14-7-5-10(13)6-8-14/h2-4,9-10H,5-8,13H2,1H3
• InChIKey: SKANJFGCACBNJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(3-methoxyphenyl)piperidin-4-amine
• Synonyms: 1-(3-methoxyphenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09942264
• PubChem SID: 164321122
• PubChem CID: 24703051

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8886867
• LogD (pH = 7.4): -1.3505399
• Log P: 1.1347963
• Molar Refractivity: 62.3316 cm^3
• Polarizability: 23.996807 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.016

Product Information

• Purity: 95%