4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

C17H25FN2O3S — CID 169307348

IUPAC4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC1(F)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C17H25FN2O3S/c1-17(18)7-2-8-19(14-17)13-15-3-5-16(6-4-15)24(21,22)20-9-11-23-12-10-20/h3-6H,2,7-14H2,1H3
InChIKeyQFFYJTMEFJLLTJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.03
Rot. Bonds4

About 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 169307348) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID169307348
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCC1(F)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C17H25FN2O3S/c1-17(18)7-2-8-19(14-17)13-15-3-5-16(6-4-15)24(21,22)20-9-11-23-12-10-20/h3-6H,2,7-14H2,1H3
InChIKeyQFFYJTMEFJLLTJ-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
CID 163259232
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
CID 70704257
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009188
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(benzenesulfonyl)morpholine;ethane
CID 143200179

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 169307348) is 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is CC1(F)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is QFFYJTMEFJLLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-17(18)7-2-8-19(14-17)13-15-3-5-16(6-4-15)24(21,22)20-9-11-23-12-10-20/h3-6H,2,7-14H2,1H3.
What are the key properties of 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 356.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 169307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).