1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol

C20H29F3N2O — CID 10361811

IUPAC1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESCN1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C20H29F3N2O/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3
InChIKeyLGRZVDOIDOOMRO-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol

1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 10361811) has the molecular formula C20H29F3N2O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
PubChem CID10361811
Molecular FormulaC20H29F3N2O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESCN1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C20H29F3N2O/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3
InChIKeyLGRZVDOIDOOMRO-UHFFFAOYSA-N
XLogP3.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hexocyclium
CID 24199
1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 11743914
1-(2-(Dimethylamino)-1-(3-(trifluoromethyl)phenyl)ethyl)cyclohexanol
CID 10403428
1-[1-(Phenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520306
1-[1-(4-Trifluoromethylphenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520319
1-[1-(3-Fluorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 24894912
1-(4-Isopropylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperidine-4-ol
CID 44339424
1-[1-(3-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 24894788
1-[2-(4-Methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 24894792
1-[2-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 24895019
1-(4-Propyl-cyclohexyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 44339425
1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 44339596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (CID 10361811) is 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is CN1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is LGRZVDOIDOOMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 370.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 10361811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).