4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile

C15H24F3N3 — CID 62968579

IUPAC4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C15H24F3N3/c1-2-12-3-4-13(10-19)14(9-12)21-7-5-20(6-8-21)11-15(16,17)18/h12-14H,2-9,11H2,1H3
InChIKeyCFGCKINRFSCDTA-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.88
Rot. Bonds3

About 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile

4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 62968579) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
PubChem CID62968579
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C15H24F3N3/c1-2-12-3-4-13(10-19)14(9-12)21-7-5-20(6-8-21)11-15(16,17)18/h12-14H,2-9,11H2,1H3
InChIKeyCFGCKINRFSCDTA-UHFFFAOYSA-N
XLogP2.88
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
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]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile (CID 62968579) is 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is CFGCKINRFSCDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-2-12-3-4-13(10-19)14(9-12)21-7-5-20(6-8-21)11-15(16,17)18/h12-14H,2-9,11H2,1H3.
What are the key properties of 4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 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]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62968579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).