1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

C24H32Cl4N2O — CID 16660339

About 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 16660339) has the molecular formula C24H32Cl4N2O and a molecular weight of 506.35 g/mol. Its IUPAC name is 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
• PubChem CID: 16660339
• Molecular Formula: C24H32Cl4N2O
• Molecular Weight: 506.35 g/mol
• Exact Mass: 504.13
• IUPAC Name: 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
• SMILES: Cl.Cl.OC1(C(CN2CCNCC2)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CCCCC1
• InChI: InChI=1S/C24H30Cl2N2O.2ClH/c25-22-8-7-19(16-23(22)26)18-5-4-6-20(15-18)21(17-28-13-11-27-12-14-28)24(29)9-2-1-3-10-24;;/h4-8,15-16,21,27,29H,1-3,9-14,17H2;2*1H
• InChIKey: UPQHLZRTFCBAQK-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 35.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.35
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?

The IUPAC name of 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (CID 16660339) is 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

What is the SMILES notation for 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?

The canonical SMILES for 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CCCCC1.

What is the InChIKey of 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?

The InChIKey is UPQHLZRTFCBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O.2ClH/c25-22-8-7-19(16-23(22)26)18-5-4-6-20(15-18)21(17-28-13-11-27-12-14-28)24(29)9-2-1-3-10-24;;/h4-8,15-16,21,27,29H,1-3,9-14,17H2;2*1H.

What are the key properties of 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?

1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 506.35 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 16660339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).