4-(4-methylsulfonylphenyl)-1-propylpiperidine

C15H23NO2S — CID 22397824

IUPAC4-(4-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23NO2S/c1-3-10-16-11-8-14(9-12-16)13-4-6-15(7-5-13)19(2,17)18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyXPQIKGMGTVAKLA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds4

About 4-(4-methylsulfonylphenyl)-1-propylpiperidine

4-(4-methylsulfonylphenyl)-1-propylpiperidine (PubChem CID 22397824) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-1-propylpiperidine
PubChem CID22397824
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-(4-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23NO2S/c1-3-10-16-11-8-14(9-12-16)13-4-6-15(7-5-13)19(2,17)18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyXPQIKGMGTVAKLA-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 4-(4-methylsulfonylphenyl)-1-propylpiperidine?
The IUPAC name of 4-(4-methylsulfonylphenyl)-1-propylpiperidine (CID 22397824) is 4-(4-methylsulfonylphenyl)-1-propylpiperidine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-1-propylpiperidine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-1-propylpiperidine is CCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-1-propylpiperidine?
The InChIKey is XPQIKGMGTVAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-10-16-11-8-14(9-12-16)13-4-6-15(7-5-13)19(2,17)18/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-1-propylpiperidine?
4-(4-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 4-(4-methylsulfonylphenyl)-1-propylpiperidine is sourced from PubChem (CID 22397824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).