4-(2-methyl-5-methylsulfonylphenyl)piperidine

C13H19NO2S — CID 117386717

IUPAC4-(2-methyl-5-methylsulfonylphenyl)piperidine
SMILESCc1ccc(S(C)(=O)=O)cc1C1CCNCC1
InChIInChI=1S/C13H19NO2S/c1-10-3-4-12(17(2,15)16)9-13(10)11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3
InChIKeyLMXKMQFLXKSKGU-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.87
Rot. Bonds2

About 4-(2-methyl-5-methylsulfonylphenyl)piperidine

4-(2-methyl-5-methylsulfonylphenyl)piperidine (PubChem CID 117386717) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(2-methyl-5-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-methyl-5-methylsulfonylphenyl)piperidine
PubChem CID117386717
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-(2-methyl-5-methylsulfonylphenyl)piperidine
SMILESCc1ccc(S(C)(=O)=O)cc1C1CCNCC1
InChIInChI=1S/C13H19NO2S/c1-10-3-4-12(17(2,15)16)9-13(10)11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3
InChIKeyLMXKMQFLXKSKGU-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
4-methyl-3-piperidin-4-ylbenzonitrile
CID 83392495
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
N-(4-methyl-3-piperidin-4-ylphenyl)cyclopropanecarboxamide
CID 86235737
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
1-[(2-methyl-5-methylsulfonylphenyl)methyl]piperazine
CID 117424869
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 150283484
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-methylsulfonylphenyl)piperidine?
The IUPAC name of 4-(2-methyl-5-methylsulfonylphenyl)piperidine (CID 117386717) is 4-(2-methyl-5-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 4-(2-methyl-5-methylsulfonylphenyl)piperidine?
The canonical SMILES for 4-(2-methyl-5-methylsulfonylphenyl)piperidine is Cc1ccc(S(C)(=O)=O)cc1C1CCNCC1.
What is the InChIKey of 4-(2-methyl-5-methylsulfonylphenyl)piperidine?
The InChIKey is LMXKMQFLXKSKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-3-4-12(17(2,15)16)9-13(10)11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3.
What are the key properties of 4-(2-methyl-5-methylsulfonylphenyl)piperidine?
4-(2-methyl-5-methylsulfonylphenyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117386717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).