1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol

C22H28N2O4S — CID 6212489

IUPAC1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/b16-11+
InChIKeyGOPYWYHMVQOUGZ-LFIBNONCSA-N
MW416.54 g/mol
LogP2.18
Rot. Bonds9

About 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol

1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 6212489) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID6212489
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/b16-11+
InChIKeyGOPYWYHMVQOUGZ-LFIBNONCSA-N
XLogP2.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 8761717
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
1-(2,5-dimethylphenoxy)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 16553382
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol (CID 6212489) is 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol is O=S(=O)(/C=C/c1ccccc1)N1CCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is GOPYWYHMVQOUGZ-LFIBNONCSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/b16-11+.
What are the key properties of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 416.54 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 6212489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).