1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol

C19H31N3O3S — CID 46968099

IUPAC1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol
SMILESCc1ccc(C)c(C(O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C19H31N3O3S/c1-16-6-7-17(2)18(14-16)19(23)15-20-10-12-22(13-11-20)26(24,25)21-8-4-3-5-9-21/h6-7,14,19,23H,3-5,8-13,15H2,1-2H3
InChIKeyZJSRVVGXBMNAEZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.69
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol

1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol (PubChem CID 46968099) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol
PubChem CID46968099
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol
SMILESCc1ccc(C)c(C(O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C19H31N3O3S/c1-16-6-7-17(2)18(14-16)19(23)15-20-10-12-22(13-11-20)26(24,25)21-8-4-3-5-9-21/h6-7,14,19,23H,3-5,8-13,15H2,1-2H3
InChIKeyZJSRVVGXBMNAEZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
[4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95899794
[4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 92556025
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanol
CID 63026968
(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
CID 92764522
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylbenzamide
CID 99130925

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol (CID 46968099) is 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol is Cc1ccc(C)c(C(O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol?
The InChIKey is ZJSRVVGXBMNAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-16-6-7-17(2)18(14-16)19(23)15-20-10-12-22(13-11-20)26(24,25)21-8-4-3-5-9-21/h6-7,14,19,23H,3-5,8-13,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol?
1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol has a molecular weight of 381.54 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanol is sourced from PubChem (CID 46968099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).