4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine

C15H22FNO2S — CID 90975920

IUPAC4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(F)c2S(C)(=O)=O)CC1
InChIInChI=1S/C15H22FNO2S/c1-3-9-17-10-7-12(8-11-17)13-5-4-6-14(16)15(13)20(2,18)19/h4-6,12H,3,7-11H2,1-2H3
InChIKeyKXXHWCYANOAVGD-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.82
Rot. Bonds4

About 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine

4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine (PubChem CID 90975920) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine
PubChem CID90975920
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(F)c2S(C)(=O)=O)CC1
InChIInChI=1S/C15H22FNO2S/c1-3-9-17-10-7-12(8-11-17)13-5-4-6-14(16)15(13)20(2,18)19/h4-6,12H,3,7-11H2,1-2H3
InChIKeyKXXHWCYANOAVGD-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methyl-3-(trifluoromethylsulfonyl)phenyl]-1-propylpiperidine
CID 11667434
1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
CID 159917565
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
CID 11702233
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
N-methyl-1-[2-(1-propylpiperidin-4-yl)-6-(trifluoromethyl)phenyl]methanimine
CID 162557176
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
[3-(1-ethylpiperidin-4-yl)-2-fluorophenyl] trifluoromethanesulfonate
CID 57447968
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
[2-fluoro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl] trifluoromethanesulfonate
CID 57447969
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
CID 91264688
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine?
The IUPAC name of 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine (CID 90975920) is 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine.
What is the SMILES notation for 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine?
The canonical SMILES for 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine is CCCN1CCC(c2cccc(F)c2S(C)(=O)=O)CC1.
What is the InChIKey of 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine?
The InChIKey is KXXHWCYANOAVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-3-9-17-10-7-12(8-11-17)13-5-4-6-14(16)15(13)20(2,18)19/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine?
4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine has a molecular weight of 299.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine is sourced from PubChem (CID 90975920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).