4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride

C15H24ClNO2S — CID 45378044

IUPAC4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride
SMILESCCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18;/h4-6,12-13H,3,7-11H2,1-2H3;1H
InChIKeyYGRHOYQMBLLGEV-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride

4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride (PubChem CID 45378044) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride
PubChem CID45378044
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride
SMILESCCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18;/h4-6,12-13H,3,7-11H2,1-2H3;1H
InChIKeyYGRHOYQMBLLGEV-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pridopidine
CID 9795739
Osu-6162
CID 9795741
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperidine
CID 22397829
Piperidine, 3-[3-(methylsulfonyl)phenyl]-1-propyl-, hydrochloride (1:1), (3S)-
CID 9836644
Ordopidine
CID 11701939
Seridopidine
CID 11572784
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121
1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
N,N-Dimethyl-3-((S)-1-propyl-piperidin-3-yl)-benzenesulfonamide
CID 10018300
(S)-3-(3-Methylsulfanyl-phenyl)-1-propyl-piperidine
CID 10264090
1-[3-[1-(Benzenesulfonyl)cyclobutyl]propyl]-4-phenylpiperidine
CID 21048761

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride?
The IUPAC name of 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride (CID 45378044) is 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride?
The canonical SMILES for 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride is CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1.Cl.
What is the InChIKey of 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride?
The InChIKey is YGRHOYQMBLLGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S.ClH/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18;/h4-6,12-13H,3,7-11H2,1-2H3;1H.
What are the key properties of 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride?
4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride has a molecular weight of 317.88 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride is sourced from PubChem (CID 45378044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).