4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid

C19H22N2O4 — CID 69366638

IUPAC4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ccc(N3CCN(C(=O)O)CC3)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-24-16-7-8-18(25-2)17(13-16)14-3-5-15(6-4-14)20-9-11-21(12-10-20)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyOXTDJRGSZNNEBI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.17
Rot. Bonds4

About 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid

4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid (PubChem CID 69366638) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid
PubChem CID69366638
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ccc(N3CCN(C(=O)O)CC3)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-24-16-7-8-18(25-2)17(13-16)14-3-5-15(6-4-14)20-9-11-21(12-10-20)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyOXTDJRGSZNNEBI-UHFFFAOYSA-N
XLogP3.17
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 121084114
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
3-(2,5-dimethoxyanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033715

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid (CID 69366638) is 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid is COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)O)CC3)cc2)c1.
What is the InChIKey of 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid?
The InChIKey is OXTDJRGSZNNEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-7-8-18(25-2)17(13-16)14-3-5-15(6-4-14)20-9-11-21(12-10-20)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid?
4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69366638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).