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

C24H37Cl2F3N2O — CID 11179494

IUPAC1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCC(N3CCCC3)CC2)c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=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
InChIKeyBENZXZNVCRSBQF-UHFFFAOYSA-N
MW497.47 g/mol
LogP5.89
Rot. Bonds5

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 Name1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID11179494
Molecular FormulaC24H37Cl2F3N2O
Molecular Weight497.47 g/mol
Exact Mass496.22
IUPAC Name1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCC(N3CCCC3)CC2)c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=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
InChIKeyBENZXZNVCRSBQF-UHFFFAOYSA-N
XLogP5.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).