4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine

C14H22FN3O2S — CID 146045340

IUPAC4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(c2ccc(F)cn2)C(C)C1
InChIInChI=1S/C14H22FN3O2S/c1-3-4-9-21(19,20)17-7-8-18(12(2)11-17)14-6-5-13(15)10-16-14/h5-6,10,12H,3-4,7-9,11H2,1-2H3
InChIKeyUOBVLSLQQOWFCZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.86
Rot. Bonds5

About 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine

4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine (PubChem CID 146045340) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine.

Molecular Properties

Compound Name4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine
PubChem CID146045340
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(c2ccc(F)cn2)C(C)C1
InChIInChI=1S/C14H22FN3O2S/c1-3-4-9-21(19,20)17-7-8-18(12(2)11-17)14-6-5-13(15)10-16-14/h5-6,10,12H,3-4,7-9,11H2,1-2H3
InChIKeyUOBVLSLQQOWFCZ-UHFFFAOYSA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butylsulfonyl-1-(3-fluoro-4-pyridinyl)-2-methylpiperazine
CID 138047814
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 146041511
1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 146043390
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
(1S,4R)-4,7,7-trimethyl-1-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 71176840
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692
3-(1H-benzimidazol-2-yl)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-1-one
CID 154568485
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 177116422
1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
CID 146044844
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 146043710

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine?
The IUPAC name of 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine (CID 146045340) is 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine.
What is the SMILES notation for 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine?
The canonical SMILES for 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine is CCCCS(=O)(=O)N1CCN(c2ccc(F)cn2)C(C)C1.
What is the InChIKey of 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine?
The InChIKey is UOBVLSLQQOWFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-3-4-9-21(19,20)17-7-8-18(12(2)11-17)14-6-5-13(15)10-16-14/h5-6,10,12H,3-4,7-9,11H2,1-2H3.
What are the key properties of 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine?
4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine has a molecular weight of 315.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine is sourced from PubChem (CID 146045340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).