2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol

C18H25F3N2O — CID 3051833

IUPAC2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)15-5-3-6-16(12-15)23-10-8-22(9-11-23)13-14-4-1-2-7-17(14)24/h3,5-6,12,14,17,24H,1-2,4,7-11,13H2
InChIKeyXCNGNRWKCXOGGT-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.38
Rot. Bonds3

About 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol

2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 3051833) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID3051833
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)15-5-3-6-16(12-15)23-10-8-22(9-11-23)13-14-4-1-2-7-17(14)24/h3,5-6,12,14,17,24H,1-2,4,7-11,13H2
InChIKeyXCNGNRWKCXOGGT-UHFFFAOYSA-N
XLogP3.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol (CID 3051833) is 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol is OC1CCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XCNGNRWKCXOGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)15-5-3-6-16(12-15)23-10-8-22(9-11-23)13-14-4-1-2-7-17(14)24/h3,5-6,12,14,17,24H,1-2,4,7-11,13H2.
What are the key properties of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 342.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 3051833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).