1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde

C24H35Cl2N3O — CID 175084902

About 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde

1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde (PubChem CID 175084902) has the molecular formula C24H35Cl2N3O and a molecular weight of 452.47 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

• Compound Name: 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde
• PubChem CID: 175084902
• Molecular Formula: C24H35Cl2N3O
• Molecular Weight: 452.47 g/mol
• Exact Mass: 451.22
• IUPAC Name: 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde
• SMILES: O=CC1(N2CCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)CCCCC1
• InChI: InChI=1S/C24H35Cl2N3O/c25-21-5-4-6-22(23(21)26)28-17-15-27(16-18-28)12-7-20-8-13-29(14-9-20)24(19-30)10-2-1-3-11-24/h4-6,19-20H,1-3,7-18H2
• InChIKey: AIMQLHJQWCBOIQ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 26.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde?

The IUPAC name of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde (CID 175084902) is 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde.

What is the SMILES notation for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde?

The canonical SMILES for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde is O=CC1(N2CCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)CC2)CCCCC1.

What is the InChIKey of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde?

The InChIKey is AIMQLHJQWCBOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35Cl2N3O/c25-21-5-4-6-22(23(21)26)28-17-15-27(16-18-28)12-7-20-8-13-29(14-9-20)24(19-30)10-2-1-3-11-24/h4-6,19-20H,1-3,7-18H2.

What are the key properties of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde?

1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde has a molecular weight of 452.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 175084902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).