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

C16H28F2N2 — CID 64861733

IUPAC5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine
SMILESCC1(C2CC2)CNC(C2CCCCC2)CN1CC(F)F
InChIInChI=1S/C16H28F2N2/c1-16(13-7-8-13)11-19-14(9-20(16)10-15(17)18)12-5-3-2-4-6-12/h12-15,19H,2-11H2,1H3
InChIKeyGUIVATKKYSSHSS-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.27
Rot. Bonds4

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

5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine (PubChem CID 64861733) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine
PubChem CID64861733
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine
SMILESCC1(C2CC2)CNC(C2CCCCC2)CN1CC(F)F
InChIInChI=1S/C16H28F2N2/c1-16(13-7-8-13)11-19-14(9-20(16)10-15(17)18)12-5-3-2-4-6-12/h12-15,19H,2-11H2,1H3
InChIKeyGUIVATKKYSSHSS-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 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine?
The IUPAC name of 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine (CID 64861733) is 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine.
What is the SMILES notation for 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine?
The canonical SMILES for 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine is CC1(C2CC2)CNC(C2CCCCC2)CN1CC(F)F.
What is the InChIKey of 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine?
The InChIKey is GUIVATKKYSSHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-16(13-7-8-13)11-19-14(9-20(16)10-15(17)18)12-5-3-2-4-6-12/h12-15,19H,2-11H2,1H3.
What are the key properties of 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine?
5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-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 5-cyclohexyl-2-cyclopropyl-1-(2,2-difluoroethyl)-2-methylpiperazine is sourced from PubChem (CID 64861733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).