1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

C16H20FN3O2S — CID 110106641

IUPAC1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCc1cn[nH]c1CC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3O2S/c1-12-10-18-19-16(12)9-13-3-2-8-20(11-13)23(21,22)15-6-4-14(17)5-7-15/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,18,19)
InChIKeyOCPZGZSLYIJDIS-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.50
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine

1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine (PubChem CID 110106641) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
PubChem CID110106641
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCc1cn[nH]c1CC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3O2S/c1-12-10-18-19-16(12)9-13-3-2-8-20(11-13)23(21,22)15-6-4-14(17)5-7-15/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,18,19)
InChIKeyOCPZGZSLYIJDIS-UHFFFAOYSA-N
XLogP2.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106536
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124955557
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 91907997
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
CID 166266451
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine (CID 110106641) is 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine is Cc1cn[nH]c1CC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
The InChIKey is OCPZGZSLYIJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-12-10-18-19-16(12)9-13-3-2-8-20(11-13)23(21,22)15-6-4-14(17)5-7-15/h4-7,10,13H,2-3,8-9,11H2,1H3,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine?
1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 110106641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).