3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine

C17H19FN2O3S — CID 90566210

IUPAC3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C17H19FN2O3S/c18-15-5-3-14(4-6-15)13-24(21,22)20-10-7-16(8-11-20)23-17-2-1-9-19-12-17/h1-6,9,12,16H,7-8,10-11,13H2
InChIKeyHQNSTMJDAHUABW-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.59
Rot. Bonds5

About 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine

3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine (PubChem CID 90566210) has the molecular formula C17H19FN2O3S and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
PubChem CID90566210
Molecular FormulaC17H19FN2O3S
Molecular Weight350.41 g/mol
Exact Mass350.11
IUPAC Name3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C17H19FN2O3S/c18-15-5-3-14(4-6-15)13-24(21,22)20-10-7-16(8-11-20)23-17-2-1-9-19-12-17/h1-6,9,12,16H,7-8,10-11,13H2
InChIKeyHQNSTMJDAHUABW-UHFFFAOYSA-N
XLogP2.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
CID 90558927
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
4-[1-(1-benzylsulfonylpiperidin-4-yl)piperidin-4-yl]oxypyridine
CID 90617536
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine (CID 90566210) is 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine?
The InChIKey is HQNSTMJDAHUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c18-15-5-3-14(4-6-15)13-24(21,22)20-10-7-16(8-11-20)23-17-2-1-9-19-12-17/h1-6,9,12,16H,7-8,10-11,13H2.
What are the key properties of 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine?
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine has a molecular weight of 350.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 90566210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).