2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine

C15H23NO3S — CID 115071228

IUPAC2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
SMILESCOc1ccc(CCS(=O)(=O)CC2CCCCN2)cc1
InChIInChI=1S/C15H23NO3S/c1-19-15-7-5-13(6-8-15)9-11-20(17,18)12-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKeyKJHMXLHAJYAQOB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine

2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine (PubChem CID 115071228) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
PubChem CID115071228
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
SMILESCOc1ccc(CCS(=O)(=O)CC2CCCCN2)cc1
InChIInChI=1S/C15H23NO3S/c1-19-15-7-5-13(6-8-15)9-11-20(17,18)12-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKeyKJHMXLHAJYAQOB-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071181
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 107855920
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine (CID 115071228) is 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine is COc1ccc(CCS(=O)(=O)CC2CCCCN2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine?
The InChIKey is KJHMXLHAJYAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-19-15-7-5-13(6-8-15)9-11-20(17,18)12-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-12H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine?
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine has a molecular weight of 297.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine is sourced from PubChem (CID 115071228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).