4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine

C14H21NO3S — CID 141152602

IUPAC4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine
SMILESCOc1ccc(C2CCNC(CS(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-18-14-5-3-11(4-6-14)12-7-8-15-13(9-12)10-19(2,16)17/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyYXFKNXQNDOGOQG-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.58
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine

4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine (PubChem CID 141152602) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine
PubChem CID141152602
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine
SMILESCOc1ccc(C2CCNC(CS(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-18-14-5-3-11(4-6-14)12-7-8-15-13(9-12)10-19(2,16)17/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyYXFKNXQNDOGOQG-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methoxymethyl)piperidin-4-yl]phenol
CID 117258631
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-methoxyphenyl)piperidine;hydrochloride
CID 67556539
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
CID 64689084
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
CID 115038605
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
3-(4-methoxyphenyl)piperidine
CID 12937920

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine (CID 141152602) is 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine is COc1ccc(C2CCNC(CS(C)(=O)=O)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine?
The InChIKey is YXFKNXQNDOGOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-14-5-3-11(4-6-14)12-7-8-15-13(9-12)10-19(2,16)17/h3-6,12-13,15H,7-10H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine?
4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine has a molecular weight of 283.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 141152602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).