2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine

C16H27F3N2 — CID 64878085

IUPAC2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C2CC2)CN(CC(F)(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C16H27F3N2/c1-15(13-7-8-13)10-21(11-16(17,18)19)14(9-20-15)12-5-3-2-4-6-12/h12-14,20H,2-11H2,1H3
InChIKeyPGEAURRWLHCGNO-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.57
Rot. Bonds3

About 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine

2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64878085) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64878085
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C2CC2)CN(CC(F)(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C16H27F3N2/c1-15(13-7-8-13)10-21(11-16(17,18)19)14(9-20-15)12-5-3-2-4-6-12/h12-14,20H,2-11H2,1H3
InChIKeyPGEAURRWLHCGNO-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64878085) is 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine is CC1(C2CC2)CN(CC(F)(F)F)C(C2CCCCC2)CN1.
What is the InChIKey of 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is PGEAURRWLHCGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c1-15(13-7-8-13)10-21(11-16(17,18)19)14(9-20-15)12-5-3-2-4-6-12/h12-14,20H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 304.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-cyclopropyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64878085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).