1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine

C18H29N3O3S — CID 58817416

IUPAC1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
SMILESCCS(=O)(=O)N1CCCC(Oc2ccccc2N2CCN(C)CC2)C1
InChIInChI=1S/C18H29N3O3S/c1-3-25(22,23)21-10-6-7-16(15-21)24-18-9-5-4-8-17(18)20-13-11-19(2)12-14-20/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3
InChIKeyLNBQVOCZYTYFPL-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.63
Rot. Bonds5

About 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine

1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine (PubChem CID 58817416) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
PubChem CID58817416
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
SMILESCCS(=O)(=O)N1CCCC(Oc2ccccc2N2CCN(C)CC2)C1
InChIInChI=1S/C18H29N3O3S/c1-3-25(22,23)21-10-6-7-16(15-21)24-18-9-5-4-8-17(18)20-13-11-19(2)12-14-20/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3
InChIKeyLNBQVOCZYTYFPL-UHFFFAOYSA-N
XLogP1.63
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine
CID 58817434
1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817405
1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 42291255
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
CID 69440985
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
1-(2-phenylethylsulfonyl)-4-(2-piperidin-1-ylphenoxy)piperidine
CID 174483108
2-methyl-1-[(3R)-3-(2-piperazin-1-ylphenoxy)piperidin-1-yl]propan-1-one
CID 58817400
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11539770
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
CID 58817340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine (CID 58817416) is 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine is CCS(=O)(=O)N1CCCC(Oc2ccccc2N2CCN(C)CC2)C1.
What is the InChIKey of 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine?
The InChIKey is LNBQVOCZYTYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-3-25(22,23)21-10-6-7-16(15-21)24-18-9-5-4-8-17(18)20-13-11-19(2)12-14-20/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3.
What are the key properties of 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine?
1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine has a molecular weight of 367.52 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine is sourced from PubChem (CID 58817416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).