4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

C19H24FN4O3S+ — CID 9281205

IUPAC4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C19H23FN4O3S/c20-16-1-3-17(4-2-16)22-7-9-23(10-8-22)19-6-5-18(15-21-19)28(25,26)24-11-13-27-14-12-24/h1-6,15H,7-14H2/p+1
InChIKeyFIDQBKHHHRYJAY-UHFFFAOYSA-O
MW407.49 g/mol
LogP0.99
Rot. Bonds4

About 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine (PubChem CID 9281205) has the molecular formula C19H24FN4O3S+ and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
PubChem CID9281205
Molecular FormulaC19H24FN4O3S+
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C19H23FN4O3S/c20-16-1-3-17(4-2-16)22-7-9-23(10-8-22)19-6-5-18(15-21-19)28(25,26)24-11-13-27-14-12-24/h1-6,15H,7-14H2/p+1
InChIKeyFIDQBKHHHRYJAY-UHFFFAOYSA-O
XLogP0.99
TPSA67.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 9196184
N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9195406
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
4-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9172535
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 27125800
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine
CID 7033043
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
CID 2450884
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1068502

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine (CID 9281205) is 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine is O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c1)N1CCOCC1.
What is the InChIKey of 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine?
The InChIKey is FIDQBKHHHRYJAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23FN4O3S/c20-16-1-3-17(4-2-16)22-7-9-23(10-8-22)19-6-5-18(15-21-19)28(25,26)24-11-13-27-14-12-24/h1-6,15H,7-14H2/p+1.
What are the key properties of 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine?
4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine has a molecular weight of 407.49 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine is sourced from PubChem (CID 9281205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).