(4-amino-1-benzylpiperidin-3-yl)methanol

• ChemBase ID: 278034
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(CC(C(CC1)N)CO)Cc1ccccc1
• Canonical SMILES: OCC1CN(CCC1N)Cc1ccccc1
• InChI: InChI=1S/C13H20N2O/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2
• InChIKey: CZCYWYTZXZUBOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-amino-1-benzylpiperidin-3-yl)methanol
• IUPAC Traditional name: (4-amino-1-benzylpiperidin-3-yl)methanol
• Synonyms: (4-amino-1-benzylpiperidin-3-yl)methanol

Database IDs

• MDL Number: MFCD19982484
• PubChem SID: 164333944
• PubChem CID: 53396188

CALCULATED PROPERTIES

• Acid pKa: 15.383007
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.9864125
• LogD (pH = 7.4): -2.7361715
• Log P: 0.42954448
• Molar Refractivity: 65.9668 cm^3
• Polarizability: 26.176825 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.893

Product Information

• Purity: 95%