4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine

C16H25NO2S — CID 133363037

IUPAC4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
SMILESCC(C)CC1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H25NO2S/c1-13(2)12-14-8-10-17(11-9-14)15-6-4-5-7-16(15)20(3,18)19/h4-7,13-14H,8-12H2,1-3H3
InChIKeyROAASQLQFKQTFV-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.35
Rot. Bonds4

About 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine

4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine (PubChem CID 133363037) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
PubChem CID133363037
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
SMILESCC(C)CC1CCN(c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H25NO2S/c1-13(2)12-14-8-10-17(11-9-14)15-6-4-5-7-16(15)20(3,18)19/h4-7,13-14H,8-12H2,1-3H3
InChIKeyROAASQLQFKQTFV-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine
CID 63853535
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
3-(2-methylpropyl)-1-(3-methylsulfonyl-2-nitrophenyl)pyrrolidine
CID 133414248
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
2-[4-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80668840
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
CID 80702471
2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
CID 84596072

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine?
The IUPAC name of 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine (CID 133363037) is 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine is CC(C)CC1CCN(c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine?
The InChIKey is ROAASQLQFKQTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-13(2)12-14-8-10-17(11-9-14)15-6-4-5-7-16(15)20(3,18)19/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine?
4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine has a molecular weight of 295.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 133363037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).