2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C15H19FN2O — CID 6468034

IUPAC2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O/c1-2-7-17-8-10-18(11-9-17)15(19)12-13-5-3-4-6-14(13)16/h2-6H,1,7-12H2
InChIKeyOUBWKEPBMYYLNP-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 6468034) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID6468034
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O/c1-2-7-17-8-10-18(11-9-17)15(19)12-13-5-3-4-6-14(13)16/h2-6H,1,7-12H2
InChIKeyOUBWKEPBMYYLNP-UHFFFAOYSA-N
XLogP1.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243
2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020
2-(2-phenylmethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 18456201
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
3-(2-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 107272971
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 6468034) is 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is OUBWKEPBMYYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-7-17-8-10-18(11-9-17)15(19)12-13-5-3-4-6-14(13)16/h2-6H,1,7-12H2.
What are the key properties of 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 262.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 6468034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).