2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride

C22H34Cl3N3O — CID 158018409

About 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride

2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride (PubChem CID 158018409) has the molecular formula C22H34Cl3N3O and a molecular weight of 462.89 g/mol. Its IUPAC name is 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride
• PubChem CID: 158018409
• Molecular Formula: C22H34Cl3N3O
• Molecular Weight: 462.89 g/mol
• Exact Mass: 461.18
• IUPAC Name: 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride
• SMILES: CN(C)C(=O)CC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl
• InChI: InChI=1S/C22H33Cl2N3O.ClH/c1-25(2)21(28)16-18-8-6-17(7-9-18)10-11-26-12-14-27(15-13-26)20-5-3-4-19(23)22(20)24;/h3-5,17-18H,6-16H2,1-2H3;1H
• InChIKey: CCNPCWQQTPIGPN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.89
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride?

The IUPAC name of 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride (CID 158018409) is 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride.

What is the SMILES notation for 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride?

The canonical SMILES for 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)CC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl.

What is the InChIKey of 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride?

The InChIKey is CCNPCWQQTPIGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33Cl2N3O.ClH/c1-25(2)21(28)16-18-8-6-17(7-9-18)10-11-26-12-14-27(15-13-26)20-5-3-4-19(23)22(20)24;/h3-5,17-18H,6-16H2,1-2H3;1H.

What are the key properties of 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride?

2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 462.89 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 158018409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).