1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride

C24H37Cl2F3N2O — CID 11179494

About 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride

1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 11179494) has the molecular formula C24H37Cl2F3N2O and a molecular weight of 497.47 g/mol. Its IUPAC name is 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
• PubChem CID: 11179494
• Molecular Formula: C24H37Cl2F3N2O
• Molecular Weight: 497.47 g/mol
• Exact Mass: 496.22
• IUPAC Name: 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
• SMILES: Cl.Cl.OC1(C(CN2CCC(N3CCCC3)CC2)c2cccc(C(F)(F)F)c2)CCCCC1
• InChI: InChI=1S/C24H35F3N2O.2ClH/c25-24(26,27)20-8-6-7-19(17-20)22(23(30)11-2-1-3-12-23)18-28-15-9-21(10-16-28)29-13-4-5-14-29;;/h6-8,17,21-22,30H,1-5,9-16,18H2;2*1H
• InChIKey: BENZXZNVCRSBQF-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 26.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.47
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride?

The IUPAC name of 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride (CID 11179494) is 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride.

What is the SMILES notation for 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride?

The canonical SMILES for 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCC(N3CCCC3)CC2)c2cccc(C(F)(F)F)c2)CCCCC1.

What is the InChIKey of 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride?

The InChIKey is BENZXZNVCRSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N2O.2ClH/c25-24(26,27)20-8-6-7-19(17-20)22(23(30)11-2-1-3-12-23)18-28-15-9-21(10-16-28)29-13-4-5-14-29;;/h6-8,17,21-22,30H,1-5,9-16,18H2;2*1H.

What are the key properties of 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride?

1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 497.47 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 11179494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).