4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride

C13H20ClNO2S — CID 22676590

IUPAC4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO2S.ClH/c1-17(15,16)13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14H,6-10H2,1H3;1H
InChIKeyDVHUFOPYIAPWAL-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.05
Rot. Bonds3

About 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride

4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride (PubChem CID 22676590) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
PubChem CID22676590
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CC2CCNCC2)cc1.Cl
InChIInChI=1S/C13H19NO2S.ClH/c1-17(15,16)13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14H,6-10H2,1H3;1H
InChIKeyDVHUFOPYIAPWAL-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84804489
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4-[[4-(methoxymethyl)phenyl]methyl]piperidine
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4-(piperidin-4-ylmethyl)phenol
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4-[[4-(fluoromethyl)phenyl]methyl]piperidine
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N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[4-(4-methylsulfonylphenyl)butyl]piperidine;2,2,2-trifluoroacetic acid
CID 158150885
N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
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4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride (CID 22676590) is 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride is CS(=O)(=O)c1ccc(CC2CCNCC2)cc1.Cl.
What is the InChIKey of 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride?
The InChIKey is DVHUFOPYIAPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S.ClH/c1-17(15,16)13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14H,6-10H2,1H3;1H.
What are the key properties of 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride?
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 22676590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).