1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one

C16H23FN2O — CID 975939

IUPAC1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(N2CCN(CC)CC2)cc1C
InChIInChI=1S/C16H23FN2O/c1-4-16(20)13-11-14(17)15(10-12(13)3)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3
InChIKeyBCAAKVGFAMJCRJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one

1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one (PubChem CID 975939) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one
PubChem CID975939
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(N2CCN(CC)CC2)cc1C
InChIInChI=1S/C16H23FN2O/c1-4-16(20)13-11-14(17)15(10-12(13)3)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3
InChIKeyBCAAKVGFAMJCRJ-UHFFFAOYSA-N
XLogP2.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one (CID 975939) is 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one is CCC(=O)c1cc(F)c(N2CCN(CC)CC2)cc1C.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one?
The InChIKey is BCAAKVGFAMJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-16(20)13-11-14(17)15(10-12(13)3)19-8-6-18(5-2)7-9-19/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one?
1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one is sourced from PubChem (CID 975939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).