2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine

C16H28F2N2 — CID 64877906

IUPAC2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine
SMILESCC1(C2CC2)CN(CC(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C16H28F2N2/c1-16(13-7-8-13)11-20(10-15(17)18)14(9-19-16)12-5-3-2-4-6-12/h12-15,19H,2-11H2,1H3
InChIKeyJFZIJRINZSPCBG-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.27
Rot. Bonds4

About 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine

2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine (PubChem CID 64877906) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine
PubChem CID64877906
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine
SMILESCC1(C2CC2)CN(CC(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C16H28F2N2/c1-16(13-7-8-13)11-20(10-15(17)18)14(9-19-16)12-5-3-2-4-6-12/h12-15,19H,2-11H2,1H3
InChIKeyJFZIJRINZSPCBG-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine?
The IUPAC name of 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine (CID 64877906) is 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine.
What is the SMILES notation for 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine?
The canonical SMILES for 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine is CC1(C2CC2)CN(CC(F)F)C(C2CCCCC2)CN1.
What is the InChIKey of 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine?
The InChIKey is JFZIJRINZSPCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-16(13-7-8-13)11-20(10-15(17)18)14(9-19-16)12-5-3-2-4-6-12/h12-15,19H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine?
2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine has a molecular weight of 286.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-cyclopropyl-1-(2,2-difluoroethyl)-5-methylpiperazine is sourced from PubChem (CID 64877906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).