4-[(4-fluorophenyl)methyl]piperidine hydrochloride

• ChemBase ID: 55518
• Molecular Formular: C12H17ClFN
• Molecular Mass: 229.7214832
• Monoisotopic Mass: 229.10335545
• SMILES: c1c(ccc(c1)CC1CCNCC1)F.Cl
• Canonical SMILES: Fc1ccc(cc1)CC1CCNCC1.Cl
• InChI: InChI=1S/C12H16FN.ClH/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
• InChIKey: OJKWWANXBGLGQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-fluorophenyl)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-(4-fluorobenzyl)piperidine hydrochloride
• Synonyms: 4-(4-Fluorobenzyl)piperidine; 4-(4-FLUOROBENZYL)PIPERIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 92822-02-1; 193357-52-7
• MDL Number: MFCD03839825
• PubChem SID: 162060281
• PubChem CID: 17039492

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.56598496
• LogD (pH = 7.4): -0.109075055
• Log P: 2.6655812
• Molar Refractivity: 56.2964 cm^3
• Polarizability: 21.745716 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%