2-[2-(4-chloro-2-ethylphenoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46225
• Molecular Formular: C15H23Cl2NO
• Molecular Mass: 304.25522
• Monoisotopic Mass: 303.11566972
• SMILES: c1(c(ccc(c1)Cl)OCCC1NCCCC1)CC.Cl
• Canonical SMILES: CCc1cc(Cl)ccc1OCCC1CCCCN1.Cl
• InChI: InChI=1S/C15H22ClNO.ClH/c1-2-12-11-13(16)6-7-15(12)18-10-8-14-5-3-4-9-17-14;/h6-7,11,14,17H,2-5,8-10H2,1H3;1H
• InChIKey: DDPRLJFRJXFRPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-chloro-2-ethylphenoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 2-[2-(4-chloro-2-ethylphenoxy)ethyl]piperidine hydrochloride
• Synonyms: 2-[2-(4-Chloro-2-ethylphenoxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560112
• PubChem SID: 162050988
• PubChem CID: 56829746

CALCULATED PROPERTIES

• Molar Refractivity: 76.3702 cm^3
• Polarizability: 30.154724 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7577641
• LogD (pH = 7.4): 1.3506666
• Log P: 3.9832988

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false