2-(2-methoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine

• ChemBase ID: 19273
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: c1(C(N2CCCCC2)CN)c(OC)cccc1
• Canonical SMILES: NCC(c1ccccc1OC)N1CCCCC1
• InChI: InChI=1S/C14H22N2O/c1-17-14-8-4-3-7-12(14)13(11-15)16-9-5-2-6-10-16/h3-4,7-8,13H,2,5-6,9-11,15H2,1H3
• InChIKey: PCQCMHDWEYJAET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methoxyphenyl)-2-(piperidin-1-yl)ethanamine
• Synonyms: 2-(2-methoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine; 2-(2-Methoxy-phenyl)-2-piperidin-1-yl-ethylamine

Database IDs

• CAS Number: 904805-93-2
• MDL Number: MFCD08568551
• PubChem SID: 160982580
• PubChem CID: 16784297

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.055201
• LogD (pH = 7.4): 0.16434325
• Log P: 1.8701208
• Molar Refractivity: 70.8259 cm^3
• Polarizability: 28.079468 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.32

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%