4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine

C16H24FN3O4S — CID 51335547

IUPAC4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F
InChIInChI=1S/C16H24FN3O4S/c1-23-16-3-2-14(12-15(16)17)13-18-4-6-19(7-5-18)25(21,22)20-8-10-24-11-9-20/h2-3,12H,4-11,13H2,1H3
InChIKeyNDVBBTBSSPNMGE-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.53
Rot. Bonds5

About 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine

4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine (PubChem CID 51335547) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
PubChem CID51335547
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC Name4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F
InChIInChI=1S/C16H24FN3O4S/c1-23-16-3-2-14(12-15(16)17)13-18-4-6-19(7-5-18)25(21,22)20-8-10-24-11-9-20/h2-3,12H,4-11,13H2,1H3
InChIKeyNDVBBTBSSPNMGE-UHFFFAOYSA-N
XLogP0.53
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 18082801
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1-methyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)methanone
CID 24548101
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperazine
CID 112823037
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[2-(benzenesulfonyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 33071081
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
CID 131935843
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine (CID 51335547) is 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine is COc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F.
What is the InChIKey of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
The InChIKey is NDVBBTBSSPNMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c1-23-16-3-2-14(12-15(16)17)13-18-4-6-19(7-5-18)25(21,22)20-8-10-24-11-9-20/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine has a molecular weight of 373.45 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 51335547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).