3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one

C14H19FN2O — CID 82297475

IUPAC3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-11-10-16-7-8-17(11)14(18)6-5-12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyPOVYOYPFWKTHRU-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.58
Rot. Bonds3

About 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one

3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 82297475) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID82297475
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-11-10-16-7-8-17(11)14(18)6-5-12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyPOVYOYPFWKTHRU-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydroxyphenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;ethane
CID 145342003
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297474
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 110662361
3-(3-chloro-4-methoxyphenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120737699
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one (CID 82297475) is 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one is CC1CNCCN1C(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is POVYOYPFWKTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11-10-16-7-8-17(11)14(18)6-5-12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 250.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82297475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).