5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine

C22H29FN2O3S — CID 72699940

IUPAC5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)nc3)cc2)CC1
InChIInChI=1S/C22H29FN2O3S/c1-22(2,23)16-25-12-10-17(11-13-25)15-28-20-7-4-18(5-8-20)19-6-9-21(24-14-19)29(3,26)27/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyFVCWXKUNYKRDGA-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.99
Rot. Bonds7

About 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine

5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine (PubChem CID 72699940) has the molecular formula C22H29FN2O3S and a molecular weight of 420.55 g/mol. Its IUPAC name is 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
PubChem CID72699940
Molecular FormulaC22H29FN2O3S
Molecular Weight420.55 g/mol
Exact Mass420.19
IUPAC Name5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)nc3)cc2)CC1
InChIInChI=1S/C22H29FN2O3S/c1-22(2,23)16-25-12-10-17(11-13-25)15-28-20-7-4-18(5-8-20)19-6-9-21(24-14-19)29(3,26)27/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyFVCWXKUNYKRDGA-UHFFFAOYSA-N
XLogP3.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine with MolForge

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Related Compounds

4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72700347
2-[(2R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]sulfonylpyrrolidin-2-yl]ethanol
CID 146228930
2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
CID 141382276
methyl 6-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylate
CID 90017587
4-[(4-cyclohexa-1,5-dien-1-ylphenoxy)methyl]-1-(2-fluoro-2-methylpropyl)piperidine
CID 90018396
[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanol
CID 146229131
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123418930
N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72699414
methyl (2S)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxylate
CID 118147856
2-fluoro-4-[6-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-3-pyridinyl]benzoic acid
CID 90017607

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine?
The IUPAC name of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine (CID 72699940) is 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine.
What is the SMILES notation for 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine?
The canonical SMILES for 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine is CC(C)(F)CN1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)nc3)cc2)CC1.
What is the InChIKey of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine?
The InChIKey is FVCWXKUNYKRDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3S/c1-22(2,23)16-25-12-10-17(11-13-25)15-28-20-7-4-18(5-8-20)19-6-9-21(24-14-19)29(3,26)27/h4-9,14,17H,10-13,15-16H2,1-3H3.
What are the key properties of 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine?
5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine has a molecular weight of 420.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-2-methylsulfonylpyridine is sourced from PubChem (CID 72699940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).