1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine

C20H25NO4S — CID 110410419

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(COc3ccccc3)C2)cc1C
InChIInChI=1S/C20H25NO4S/c1-16-13-19(10-11-20(16)24-2)26(22,23)21-12-6-7-17(14-21)15-25-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3
InChIKeyOIHRUJRWYLKNAW-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.48
Rot. Bonds6

About 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine

1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine (PubChem CID 110410419) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
PubChem CID110410419
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(COc3ccccc3)C2)cc1C
InChIInChI=1S/C20H25NO4S/c1-16-13-19(10-11-20(16)24-2)26(22,23)21-12-6-7-17(14-21)15-25-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3
InChIKeyOIHRUJRWYLKNAW-UHFFFAOYSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
1-(4-methoxy-3-methylphenyl)sulfonyl-3-phenylazepane
CID 90608635
3-[[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163353167
1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 2979703
(3S)-N,N-dibenzyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41301972
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine (CID 110410419) is 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine is COc1ccc(S(=O)(=O)N2CCCC(COc3ccccc3)C2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
The InChIKey is OIHRUJRWYLKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-16-13-19(10-11-20(16)24-2)26(22,23)21-12-6-7-17(14-21)15-25-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine?
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine has a molecular weight of 375.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine is sourced from PubChem (CID 110410419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).