3-(3-methylsulfonylphenyl)-1-propylpiperidine

C15H23NO2S — CID 22283003

IUPAC3-(3-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCCC(c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C15H23NO2S/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3
InChIKeyGZVBVBMMNFIXGE-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds4

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

3-(3-methylsulfonylphenyl)-1-propylpiperidine (PubChem CID 22283003) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)-1-propylpiperidine
PubChem CID22283003
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-(3-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCCC(c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C15H23NO2S/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3
InChIKeyGZVBVBMMNFIXGE-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)-1-propylpiperidine?
The IUPAC name of 3-(3-methylsulfonylphenyl)-1-propylpiperidine (CID 22283003) is 3-(3-methylsulfonylphenyl)-1-propylpiperidine.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)-1-propylpiperidine?
The canonical SMILES for 3-(3-methylsulfonylphenyl)-1-propylpiperidine is CCCN1CCCC(c2cccc(S(C)(=O)=O)c2)C1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)-1-propylpiperidine?
The InChIKey is GZVBVBMMNFIXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 3-(3-methylsulfonylphenyl)-1-propylpiperidine?
3-(3-methylsulfonylphenyl)-1-propylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)-1-propylpiperidine is sourced from PubChem (CID 22283003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).