1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine

C15H23FN4O2S — CID 139004098

IUPAC1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCC(F)C3)nc2)CC1
InChIInChI=1S/C15H23FN4O2S/c1-18-7-9-20(10-8-18)23(21,22)14-4-5-15(17-11-14)19-6-2-3-13(16)12-19/h4-5,11,13H,2-3,6-10,12H2,1H3
InChIKeyHGBBVQQFZRXPRR-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.96
Rot. Bonds3

About 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 139004098) has the molecular formula C15H23FN4O2S and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID139004098
Molecular FormulaC15H23FN4O2S
Molecular Weight342.44 g/mol
Exact Mass342.15
IUPAC Name1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCCC(F)C3)nc2)CC1
InChIInChI=1S/C15H23FN4O2S/c1-18-7-9-20(10-8-18)23(21,22)14-4-5-15(17-11-14)19-6-2-3-13(16)12-19/h4-5,11,13H,2-3,6-10,12H2,1H3
InChIKeyHGBBVQQFZRXPRR-UHFFFAOYSA-N
XLogP0.96
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
CID 133480963
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
CID 55511360
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 86902816
5-pyrrolidin-1-ylsulfonyl-2-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine
CID 75448694
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 139004098) is 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(N3CCCC(F)C3)nc2)CC1.
What is the InChIKey of 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is HGBBVQQFZRXPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2S/c1-18-7-9-20(10-8-18)23(21,22)14-4-5-15(17-11-14)19-6-2-3-13(16)12-19/h4-5,11,13H,2-3,6-10,12H2,1H3.
What are the key properties of 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 342.44 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 139004098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).