2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol

C13H23F3N2O — CID 62967739

IUPAC2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-11-3-1-2-4-12(11)19/h11-12,19H,1-10H2
InChIKeyXCEOQVOSLBSOLG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.72
Rot. Bonds3

About 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 62967739) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID62967739
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-11-3-1-2-4-12(11)19/h11-12,19H,1-10H2
InChIKeyXCEOQVOSLBSOLG-UHFFFAOYSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 62967739) is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is OC1CCCCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XCEOQVOSLBSOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-11-3-1-2-4-12(11)19/h11-12,19H,1-10H2.
What are the key properties of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62967739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).