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

C15H27F3N2O — CID 62967741

IUPAC4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-2-12-3-4-14(21)13(9-12)10-19-5-7-20(8-6-19)11-15(16,17)18/h12-14,21H,2-11H2,1H3
InChIKeyQQYQZZSJTQMVCL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.35
Rot. Bonds4

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

4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 62967741) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID62967741
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-2-12-3-4-14(21)13(9-12)10-19-5-7-20(8-6-19)11-15(16,17)18/h12-14,21H,2-11H2,1H3
InChIKeyQQYQZZSJTQMVCL-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 62967741) is 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is QQYQZZSJTQMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-12-3-4-14(21)13(9-12)10-19-5-7-20(8-6-19)11-15(16,17)18/h12-14,21H,2-11H2,1H3.
What are the key properties of 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 308.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62967741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).