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

• ChemBase ID: 34570
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1CCC(CC1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC1CCNCC1
• InChI: InChI=1S/C12H18N2O/c1-15-12-4-2-10(3-5-12)14-11-6-8-13-9-7-11/h2-5,11,13-14H,6-9H2,1H3
• InChIKey: UFNFEMTWSJTTFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 37656-54-5
• MDL Number: MFCD06740344
• PubChem SID: 160997877
• PubChem CID: 7148675

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.345372
• LogD (pH = 7.4): -1.564201
• Log P: 0.93211085
• Molar Refractivity: 62.8714 cm^3
• Polarizability: 23.996351 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%