[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone

C19H21FN2O2S — CID 120736025

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
SMILESCS(=O)Cc1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O2S/c1-25(24)13-14-4-2-6-16(10-14)19(23)22-9-8-21-12-18(22)15-5-3-7-17(20)11-15/h2-7,10-11,18,21H,8-9,12-13H2,1H3
InChIKeyGOOSGGRRHLTOQT-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.49
Rot. Bonds4

About [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone

[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone (PubChem CID 120736025) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
PubChem CID120736025
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
SMILESCS(=O)Cc1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O2S/c1-25(24)13-14-4-2-6-16(10-14)19(23)22-9-8-21-12-18(22)15-5-3-7-17(20)11-15/h2-7,10-11,18,21H,8-9,12-13H2,1H3
InChIKeyGOOSGGRRHLTOQT-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120733266
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120735890
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone (CID 120736025) is [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone is CS(=O)Cc1cccc(C(=O)N2CCNCC2c2cccc(F)c2)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
The InChIKey is GOOSGGRRHLTOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-25(24)13-14-4-2-6-16(10-14)19(23)22-9-8-21-12-18(22)15-5-3-7-17(20)11-15/h2-7,10-11,18,21H,8-9,12-13H2,1H3.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone has a molecular weight of 360.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone is sourced from PubChem (CID 120736025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).