4-Valeryl-4-(3-chlorophenyl)-1-[3-(4-methylpiperazine)propyl]piperidine trihydrochloride
[CAS# 57547-01-0]

Identification

• Name: 4-Valeryl-4-(3-chlorophenyl)-1-[3-(4-methylpiperazine)propyl]piperidine trihydrochloride
• Synonyms: 1-[4-(3-Chlorophenyl)-1-[3-(4-Methylpiperazin-1-Yl)Propyl]-4-Piperidyl]Pentan-1-One Trihydrochloride; 1-[4-(3-Chlorophenyl)-1-[3-(4-Methyl-1-Piperazinyl)Propyl]-4-Piperidinyl]Pentan-1-One Trihydrochloride; Substance S
• Molecular Formula: C₂₄H₄₁Cl₄N₃O
• Molecular Weight: 529.42
• CAS Registry Number: 57547-01-0
• SMILES: [H+].[H+].[H+].C1=C(Cl)C=CC=C1C2(C(=O)CCCC)CCN(CC2)CCCN3CCN(CC3)C.[Cl-].[Cl-].[Cl-]
• InChI: 1S/C24H38ClN3O.3ClH/c1-3-4-9-23(29)24(21-7-5-8-22(25)20-21)10-14-27(15-11-24)12-6-13-28-18-16-26(2)17-19-28;;;/h5,7-8,20H,3-4,6,9-19H2,1-2H3;3*1H
• InChIKey: KAMRBBPZBQYBGC-UHFFFAOYSA-N

Properties

• Boiling point: 530.6°C at 760 mmHg (Cal.)
• Flash point: 274.7°C (Cal.)