4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine

C14H21NO4S — CID 82181339

IUPAC4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
SMILESCOc1ccc(OCCS(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H21NO4S/c1-18-12-2-4-13(5-3-12)19-10-11-20(16,17)14-6-8-15-9-7-14/h2-5,14-15H,6-11H2,1H3
InChIKeyCDCPVOJZCFOUNG-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.24
Rot. Bonds6

About 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine

4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine (PubChem CID 82181339) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
PubChem CID82181339
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
SMILESCOc1ccc(OCCS(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H21NO4S/c1-18-12-2-4-13(5-3-12)19-10-11-20(16,17)14-6-8-15-9-7-14/h2-5,14-15H,6-11H2,1H3
InChIKeyCDCPVOJZCFOUNG-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxyphenoxy)piperidine
CID 3409233
Ethanethiol, 2-(4-(p-propoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)
CID 210305
Ethanethiol, 2-(2-(p-methoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)
CID 209063
Ethanethiol, 2-(6-phenoxyhexyl)amino-, hydrogen sulfate (ester)
CID 210303
Ethanethiol, 2-(4-(p-methoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)
CID 210380
4-(4-Methoxybenzenesulfonyl)piperidine
CID 13607995
N-[2-(4-methoxyphenoxy)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 53582139
4-Methoxyphenyl 2-butylaminoethyl sulfone
CID 3050836
1-((3-(4-Fluorophenoxy)propyl)sulfonyl)piperidine
CID 16884308
4-(4-Fluorophenoxy)-1-(2-methylsulfonylethyl)piperidine
CID 72012541
1-{[2-(4-Fluorophenoxy)ethyl]sulfonyl}-3-piperidinamine acetate
CID 122560429
(E)-3-fluoro-4-[4-(2-piperidin-1-ylethylsulfonyl)phenoxy]but-2-en-1-amine
CID 42623522

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine (CID 82181339) is 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine is COc1ccc(OCCS(=O)(=O)C2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine?
The InChIKey is CDCPVOJZCFOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-12-2-4-13(5-3-12)19-10-11-20(16,17)14-6-8-15-9-7-14/h2-5,14-15H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine?
4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine has a molecular weight of 299.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine is sourced from PubChem (CID 82181339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).