2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine

C15H23NO3S — CID 77094693

IUPAC2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCOCC1CCCCN1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-19-12-14-5-3-4-10-16(14)11-13-6-8-15(9-7-13)20(2,17)18/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyWZSPIIGXDWAAJY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.09
Rot. Bonds5

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

2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine (PubChem CID 77094693) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
PubChem CID77094693
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCOCC1CCCCN1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-19-12-14-5-3-4-10-16(14)11-13-6-8-15(9-7-13)20(2,17)18/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyWZSPIIGXDWAAJY-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The IUPAC name of 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine (CID 77094693) is 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine.
What is the SMILES notation for 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The canonical SMILES for 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine is COCC1CCCCN1Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The InChIKey is WZSPIIGXDWAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-19-12-14-5-3-4-10-16(14)11-13-6-8-15(9-7-13)20(2,17)18/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine has a molecular weight of 297.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine is sourced from PubChem (CID 77094693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).