1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone

C15H25F3N2O — CID 143662212

IUPAC1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone
SMILESCCN1CCN(C2CC(C(C)=O)CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-3-19-4-6-20(7-5-19)14-9-12(11(2)21)8-13(10-14)15(16,17)18/h12-14H,3-10H2,1-2H3
InChIKeyQBSHBKLZJFFCQV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.56
Rot. Bonds3

About 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone

1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 143662212) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID143662212
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone
SMILESCCN1CCN(C2CC(C(C)=O)CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-3-19-4-6-20(7-5-19)14-9-12(11(2)21)8-13(10-14)15(16,17)18/h12-14H,3-10H2,1-2H3
InChIKeyQBSHBKLZJFFCQV-UHFFFAOYSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone (CID 143662212) is 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone is CCN1CCN(C2CC(C(C)=O)CC(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is QBSHBKLZJFFCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-3-19-4-6-20(7-5-19)14-9-12(11(2)21)8-13(10-14)15(16,17)18/h12-14H,3-10H2,1-2H3.
What are the key properties of 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone?
1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 143662212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).