4-benzylpiperidin-4-ol

• ChemBase ID: 77099
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1CCC(CC1)(O)Cc1ccccc1
• Canonical SMILES: OC1(CCNCC1)Cc1ccccc1
• InChI: InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
• InChIKey: KJZBZOFESQSBCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzylpiperidin-4-ol
• IUPAC Traditional name: 4-piperidinol, 4-benzyl-
• Synonyms: 4-Benzyl-4-piperidinol; 4-Benzyl-4-hydroxypiperidine; 4-Benzyl-4-hydroxypiperidine; 4-苄基-4-羟基哌啶

Database IDs

• CAS Number: 51135-96-7
• EC Number: 257-003-7
• MDL Number: MFCD00023147
• Beilstein Number: 1451803
• PubChem SID: 162041973
• PubChem CID: 98152

CALCULATED PROPERTIES

• Acid pKa: 14.584299
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1356294
• LogD (pH = 7.4): -1.2026356
• Log P: 1.0620842
• Molar Refractivity: 57.6749 cm^3
• Polarizability: 22.731369 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 80°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• RTECS: TN6836000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05211275

MP Biomedicals Rare Chemical collection