4-(naphthalen-2-yl)piperidine hydrochloride

• ChemBase ID: 51277
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: c1(cc2c(cc1)cccc2)C1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)c1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C15H17N.ClH/c1-2-4-14-11-15(6-5-12(14)3-1)13-7-9-16-10-8-13;/h1-6,11,13,16H,7-10H2;1H
• InChIKey: IRDSROWCEHZHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(naphthalen-2-yl)piperidine hydrochloride
• IUPAC Traditional name: 4-(naphthalen-2-yl)piperidine hydrochloride
• Synonyms: 4-(2-Naphthyl)piperidine hydrochloride

Database IDs

• CAS Number: 198334-39-3
• MDL Number: MFCD02179087
• PubChem SID: 162056040
• PubChem CID: 45073928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.15389042
• LogD (pH = 7.4): 0.5071152
• Log P: 3.0677874
• Molar Refractivity: 67.9292 cm^3
• Polarizability: 27.937168 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%