4-[2-(naphthalen-2-yloxy)ethyl]piperidine hydrochloride

• ChemBase ID: 21163
• Molecular Formular: C17H22ClNO
• Molecular Mass: 291.81568
• Monoisotopic Mass: 291.13899201
• SMILES: c12cc(ccc1cccc2)OCCC1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)CCOc1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C17H21NO.ClH/c1-2-4-16-13-17(6-5-15(16)3-1)19-12-9-14-7-10-18-11-8-14;/h1-6,13-14,18H,7-12H2;1H
• InChIKey: WTXYWEZOLMOSPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(naphthalen-2-yloxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(naphthalen-2-yloxy)ethyl]piperidine hydrochloride
• Synonyms: 4-[2-(naphthalen-2-yloxy)ethyl]piperidine hydrochloride; 4-[2-(2-Naphthyloxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD11100513
• PubChem SID: 160984470
• PubChem CID: 46735757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.044439435
• LogD (pH = 7.4): 0.5008294
• Log P: 3.2760253
• Molar Refractivity: 78.6238 cm^3
• Polarizability: 32.307655 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.995

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%