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

C15H22FNO2S — CID 91264688

IUPAC2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCCCC1c1cccc(S(C)(=O)=O)c1F
InChIInChI=1S/C15H22FNO2S/c1-3-10-17-11-5-4-8-13(17)12-7-6-9-14(15(12)16)20(2,18)19/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeySBOJEQWUZZFFLO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.17
Rot. Bonds4

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

2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine (PubChem CID 91264688) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
PubChem CID91264688
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCCCC1c1cccc(S(C)(=O)=O)c1F
InChIInChI=1S/C15H22FNO2S/c1-3-10-17-11-5-4-8-13(17)12-7-6-9-14(15(12)16)20(2,18)19/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeySBOJEQWUZZFFLO-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(2-methoxyphenyl)-1-propylpiperidine
CID 102544278
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
N-cyclopropyl-3-(1-propylpiperidin-2-yl)pyridin-2-amine
CID 102540332
1-[3-(1-propylpyrrolidin-2-yl)-2-pyridinyl]azepane
CID 102541855
(1S,8S)-9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
CID 124918346
(2R)-2-(furan-3-yl)-1-propylpiperidine
CID 124500902
6-methoxy-2-methyl-3-(1-propylpiperidin-2-yl)pyridine
CID 102542582
4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine
CID 90975920
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540684
4-methyl-3-(1-propylpiperidin-2-yl)pyridine
CID 102539167

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
The IUPAC name of 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine (CID 91264688) is 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine.
What is the SMILES notation for 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
The canonical SMILES for 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine is CCCN1CCCCC1c1cccc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
The InChIKey is SBOJEQWUZZFFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-3-10-17-11-5-4-8-13(17)12-7-6-9-14(15(12)16)20(2,18)19/h6-7,9,13H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine has a molecular weight of 299.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine is sourced from PubChem (CID 91264688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).