4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol

• ChemBase ID: 291677
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: OC1(CN)CCN(CCc2ccccc2)CC1
• Canonical SMILES: NCC1(O)CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C14H22N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12,15H2
• InChIKey: OZWUDZJANOCZLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol
• IUPAC Traditional name: 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol
• Synonyms: 4-(Aminomethyl)-1-phenethylpiperidin-4-ol

Database IDs

• CAS Number: 23808-42-6
• MDL Number: MFCD12722878
• PubChem SID: 180677208
• PubChem CID: 90271

CALCULATED PROPERTIES

• Acid pKa: 14.346848
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.4032164
• LogD (pH = 7.4): -2.9091191
• Log P: 0.6481483
• Molar Refractivity: 70.9194 cm^3
• Polarizability: 27.946032 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%