1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone

C14H24F2N2O2 — CID 111332025

IUPAC1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C14H24F2N2O2/c15-12(16)11-17-6-8-18(9-7-17)13(19)10-14(20)4-2-1-3-5-14/h12,20H,1-11H2
InChIKeyXSXNEJWBDFBUAK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.48
Rot. Bonds4

About 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone

1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 111332025) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
PubChem CID111332025
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C14H24F2N2O2/c15-12(16)11-17-6-8-18(9-7-17)13(19)10-14(20)4-2-1-3-5-14/h12,20H,1-11H2
InChIKeyXSXNEJWBDFBUAK-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone (CID 111332025) is 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone is O=C(CC1(O)CCCCC1)N1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is XSXNEJWBDFBUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c15-12(16)11-17-6-8-18(9-7-17)13(19)10-14(20)4-2-1-3-5-14/h12,20H,1-11H2.
What are the key properties of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 290.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 111332025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).