1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one

C13H16F2N2O — CID 113081212

IUPAC1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-2-12(18)16-6-8-17(9-7-16)13-10(14)4-3-5-11(13)15/h3-5H,2,6-9H2,1H3
InChIKeyTWRDIQNIHLTJJD-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.02
Rot. Bonds2

About 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one

1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 113081212) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID113081212
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c1-2-12(18)16-6-8-17(9-7-16)13-10(14)4-3-5-11(13)15/h3-5H,2,6-9H2,1H3
InChIKeyTWRDIQNIHLTJJD-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081241
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one (CID 113081212) is 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is TWRDIQNIHLTJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-2-12(18)16-6-8-17(9-7-16)13-10(14)4-3-5-11(13)15/h3-5H,2,6-9H2,1H3.
What are the key properties of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one?
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 254.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113081212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).