2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride

C15H24ClFN2O2S — CID 120756264

IUPAC2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
SMILESCCCS(=O)(=O)CCN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-2-9-21(19,20)10-8-18-7-6-17-12-15(18)13-4-3-5-14(16)11-13;/h3-5,11,15,17H,2,6-10,12H2,1H3;1H
InChIKeyDRKVEHSAQGPIPK-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.02
Rot. Bonds6

About 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride

2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride (PubChem CID 120756264) has the molecular formula C15H24ClFN2O2S and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
PubChem CID120756264
Molecular FormulaC15H24ClFN2O2S
Molecular Weight350.89 g/mol
Exact Mass350.12
IUPAC Name2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
SMILESCCCS(=O)(=O)CCN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-2-9-21(19,20)10-8-18-7-6-17-12-15(18)13-4-3-5-14(16)11-13;/h3-5,11,15,17H,2,6-10,12H2,1H3;1H
InChIKeyDRKVEHSAQGPIPK-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120756712
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120756233
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120768560
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
CID 138041241
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride (CID 120756264) is 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride is CCCS(=O)(=O)CCN1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride?
The InChIKey is DRKVEHSAQGPIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S.ClH/c1-2-9-21(19,20)10-8-18-7-6-17-12-15(18)13-4-3-5-14(16)11-13;/h3-5,11,15,17H,2,6-10,12H2,1H3;1H.
What are the key properties of 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride?
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride is sourced from PubChem (CID 120756264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).