2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C18H25FN2O — CID 806703

IUPAC2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyCAVVKHWHDCODRE-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.44
Rot. Bonds3

About 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 806703) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID806703
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyCAVVKHWHDCODRE-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 806703) is 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is CAVVKHWHDCODRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2.
What are the key properties of 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 304.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 806703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).