2-(2-chloroethyl)-1-(2H3)methylpiperidine hydrochloride

• ChemBase ID: 164230
• Molecular Formular: C8H17Cl2N
• Molecular Mass: 198.13328
• Monoisotopic Mass: 197.07380491
• SMILES: C1CN(C(CC1)CCCl)C.Cl
• Canonical SMILES: ClCCC1CCCCN1C.Cl
• InChI: InChI=1S/C8H16ClN.ClH/c1-10-7-3-2-4-8(10)5-6-9;/h8H,2-7H2,1H3;1H
• InChIKey: WVBKLELBSWJXAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethyl)-1-(^2H₃)methylpiperidine hydrochloride
• IUPAC Traditional name: 2-(2-chloroethyl)-1-(^2H₃)methylpiperidine hydrochloride
• Synonyms: 2-(2-Chloroethyl)-1-methyl-piperidine-d3 Hydrochloride; 2-(2-Chloroethyl)-1-methylpiperidine-d3 Hydrochloride

Database IDs

• PubChem SID: 162258365
• PubChem CID: 71314723

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4685559
• LogD (pH = 7.4): 0.014389697
• Log P: 1.8247522
• Molar Refractivity: 46.009 cm^3
• Polarizability: 18.075779 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform
• Apperance: Pink Solid

DETAILS

Toronto Research Chemicals - C366162

Labelled Thioridazine intermediate.