4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine

C15H23NO2S — CID 117116551

IUPAC4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine
SMILESCC(C)(c1ccc(C2CCNCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23NO2S/c1-15(2,19(3,17)18)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,13,16H,8-11H2,1-3H3
InChIKeyOGSOCARGYSGMMS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.43
Rot. Bonds3

About 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine

4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine (PubChem CID 117116551) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine
PubChem CID117116551
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine
SMILESCC(C)(c1ccc(C2CCNCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23NO2S/c1-15(2,19(3,17)18)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,13,16H,8-11H2,1-3H3
InChIKeyOGSOCARGYSGMMS-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine
CID 117436802
N-(4-piperidin-4-ylphenyl)methanesulfonamide
CID 117389477
3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
CID 116988059
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
ethane;4-(4-methylphenyl)piperidine
CID 145467036
3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]pyrrolidine
CID 117403115
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
4-(4-methylsulfinylphenyl)piperidine
CID 22622472
potassium 4-piperidin-4-ylphenolate
CID 143791971
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
methanamine;4-phenylpiperidine
CID 143444696

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine?
The IUPAC name of 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine (CID 117116551) is 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine.
What is the SMILES notation for 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine?
The canonical SMILES for 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine is CC(C)(c1ccc(C2CCNCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine?
The InChIKey is OGSOCARGYSGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,19(3,17)18)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,13,16H,8-11H2,1-3H3.
What are the key properties of 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine?
4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine is sourced from PubChem (CID 117116551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).