1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol

C20H30N2O4S — CID 173172112

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol
SMILESCCCCCC#CC(O)CS(=O)(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H30N2O4S/c1-3-4-5-6-7-10-18(23)17-27(24,25)22-15-13-21(14-16-22)19-11-8-9-12-20(19)26-2/h8-9,11-12,18,23H,3-6,13-17H2,1-2H3
InChIKeyYNNQYQRAXJFQTM-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.09
Rot. Bonds8

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol (PubChem CID 173172112) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol
PubChem CID173172112
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol
SMILESCCCCCC#CC(O)CS(=O)(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H30N2O4S/c1-3-4-5-6-7-10-18(23)17-27(24,25)22-15-13-21(14-16-22)19-11-8-9-12-20(19)26-2/h8-9,11-12,18,23H,3-6,13-17H2,1-2H3
InChIKeyYNNQYQRAXJFQTM-UHFFFAOYSA-N
XLogP2.09
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
2-[(4-phenylpiperazin-1-yl)sulfonylmethyl]non-3-ynamide
CID 174532759
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
CID 112994466
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
CID 71905539
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
CID 110181867
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
CID 167833255
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol (CID 173172112) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol is CCCCCC#CC(O)CS(=O)(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol?
The InChIKey is YNNQYQRAXJFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-3-4-5-6-7-10-18(23)17-27(24,25)22-15-13-21(14-16-22)19-11-8-9-12-20(19)26-2/h8-9,11-12,18,23H,3-6,13-17H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol has a molecular weight of 394.54 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ol is sourced from PubChem (CID 173172112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).