2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone

C16H22ClFN2O — CID 64978375

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
SMILESCCC1CN(C(=O)Cc2c(F)cccc2Cl)C(CC)CN1
InChIInChI=1S/C16H22ClFN2O/c1-3-11-10-20(12(4-2)9-19-11)16(21)8-13-14(17)6-5-7-15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3
InChIKeyJGAHMQISQYEAOJ-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone (PubChem CID 64978375) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
PubChem CID64978375
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
SMILESCCC1CN(C(=O)Cc2c(F)cccc2Cl)C(CC)CN1
InChIInChI=1S/C16H22ClFN2O/c1-3-11-10-20(12(4-2)9-19-11)16(21)8-13-14(17)6-5-7-15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3
InChIKeyJGAHMQISQYEAOJ-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone (CID 64978375) is 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone is CCC1CN(C(=O)Cc2c(F)cccc2Cl)C(CC)CN1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
The InChIKey is JGAHMQISQYEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-3-11-10-20(12(4-2)9-19-11)16(21)8-13-14(17)6-5-7-15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone has a molecular weight of 312.82 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 64978375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).