1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine

C20H25FN4O2S — CID 57444922

IUPAC1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine
SMILESO=S(=O)(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O2S/c21-18-5-2-1-4-17(18)16-8-12-25(13-9-16)28(26,27)20-7-3-6-19(23-20)24-14-10-22-11-15-24/h1-7,16,22H,8-15H2
InChIKeyHJSQWUMAMRYROZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.20
Rot. Bonds4

About 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine

1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine (PubChem CID 57444922) has the molecular formula C20H25FN4O2S and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine
PubChem CID57444922
Molecular FormulaC20H25FN4O2S
Molecular Weight404.51 g/mol
Exact Mass404.17
IUPAC Name1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine
SMILESO=S(=O)(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O2S/c21-18-5-2-1-4-17(18)16-8-12-25(13-9-16)28(26,27)20-7-3-6-19(23-20)24-14-10-22-11-15-24/h1-7,16,22H,8-15H2
InChIKeyHJSQWUMAMRYROZ-UHFFFAOYSA-N
XLogP2.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine (CID 57444922) is 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine is O=S(=O)(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine?
The InChIKey is HJSQWUMAMRYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2S/c21-18-5-2-1-4-17(18)16-8-12-25(13-9-16)28(26,27)20-7-3-6-19(23-20)24-14-10-22-11-15-24/h1-7,16,22H,8-15H2.
What are the key properties of 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine?
1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine has a molecular weight of 404.51 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2-fluorophenyl)piperidin-1-yl]sulfonyl-2-pyridinyl]piperazine is sourced from PubChem (CID 57444922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).