1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one

C16H23FN2O — CID 113197344

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-4-18-9-11-19(12-10-18)15(20)16(2,3)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyMWZVKJGFBFTRKU-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one

1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 113197344) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID113197344
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-4-18-9-11-19(12-10-18)15(20)16(2,3)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyMWZVKJGFBFTRKU-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
3-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108960862
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197394
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 119622987
3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119259477
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
2-(4-aminophenyl)-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80555348
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 113197344) is 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one is CCN1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is MWZVKJGFBFTRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-18-9-11-19(12-10-18)15(20)16(2,3)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 113197344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).