1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride

C24H34Cl3N3O — CID 11443154

About 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride

1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 11443154) has the molecular formula C24H34Cl3N3O and a molecular weight of 486.92 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride
• PubChem CID: 11443154
• Molecular Formula: C24H34Cl3N3O
• Molecular Weight: 486.92 g/mol
• Exact Mass: 485.18
• IUPAC Name: 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride
• SMILES: Cl.Cl.OC1(C(CN2CCN(Cc3cccnc3)CC2)c2cccc(Cl)c2)CCCCC1
• InChI: InChI=1S/C24H32ClN3O.2ClH/c25-22-8-4-7-21(16-22)23(24(29)9-2-1-3-10-24)19-28-14-12-27(13-15-28)18-20-6-5-11-26-17-20;;/h4-8,11,16-17,23,29H,1-3,9-10,12-15,18-19H2;2*1H
• InChIKey: LISNBFOTEKGYIL-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 39.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.92
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride?

The IUPAC name of 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride (CID 11443154) is 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride.

What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride?

The canonical SMILES for 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCN(Cc3cccnc3)CC2)c2cccc(Cl)c2)CCCCC1.

What is the InChIKey of 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride?

The InChIKey is LISNBFOTEKGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O.2ClH/c25-22-8-4-7-21(16-22)23(24(29)9-2-1-3-10-24)19-28-14-12-27(13-15-28)18-20-6-5-11-26-17-20;;/h4-8,11,16-17,23,29H,1-3,9-10,12-15,18-19H2;2*1H.

What are the key properties of 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride?

1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 486.92 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-chlorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 11443154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).