1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine

C15H23NO2S — CID 123597268

IUPAC1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCN1CCCCC1(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-15(10-4-5-11-16(15)2)12-13-6-8-14(9-7-13)19(3,17)18/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWBLQHSKYQNLFHC-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.51
Rot. Bonds3

About 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine

1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine (PubChem CID 123597268) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine
PubChem CID123597268
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCN1CCCCC1(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-15(10-4-5-11-16(15)2)12-13-6-8-14(9-7-13)19(3,17)18/h6-9H,4-5,10-12H2,1-3H3
InChIKeyWBLQHSKYQNLFHC-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine?
The IUPAC name of 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine (CID 123597268) is 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine.
What is the SMILES notation for 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine?
The canonical SMILES for 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine is CN1CCCCC1(C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine?
The InChIKey is WBLQHSKYQNLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(10-4-5-11-16(15)2)12-13-6-8-14(9-7-13)19(3,17)18/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine?
1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-[(4-methylsulfonylphenyl)methyl]piperidine is sourced from PubChem (CID 123597268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).