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

C16H27F3N2 — CID 64861738

IUPAC5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C2CC2)CNC(C2CCCCC2)CN1CC(F)(F)F
InChIInChI=1S/C16H27F3N2/c1-15(13-7-8-13)10-20-14(12-5-3-2-4-6-12)9-21(15)11-16(17,18)19/h12-14,20H,2-11H2,1H3
InChIKeyZPGXFZYJTURGEU-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.57
Rot. Bonds3

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

5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64861738) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64861738
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C2CC2)CNC(C2CCCCC2)CN1CC(F)(F)F
InChIInChI=1S/C16H27F3N2/c1-15(13-7-8-13)10-20-14(12-5-3-2-4-6-12)9-21(15)11-16(17,18)19/h12-14,20H,2-11H2,1H3
InChIKeyZPGXFZYJTURGEU-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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64861738) is 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine is CC1(C2CC2)CNC(C2CCCCC2)CN1CC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is ZPGXFZYJTURGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c1-15(13-7-8-13)10-20-14(12-5-3-2-4-6-12)9-21(15)11-16(17,18)19/h12-14,20H,2-11H2,1H3.
What are the key properties of 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine?
5-cyclohexyl-2-cyclopropyl-2-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 5-cyclohexyl-2-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64861738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).