4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid

C19H22N2O4 — CID 20985299

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
SMILESCOc1ccccc1N1CCN(COc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C19H22N2O4/c1-24-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-25-16-8-6-15(7-9-16)19(22)23/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyHZPUEYJDRWYPHH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.55
Rot. Bonds6

About 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid (PubChem CID 20985299) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
PubChem CID20985299
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
SMILESCOc1ccccc1N1CCN(COc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C19H22N2O4/c1-24-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-25-16-8-6-15(7-9-16)19(22)23/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyHZPUEYJDRWYPHH-UHFFFAOYSA-N
XLogP2.55
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 2715491
(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-enoic acid
CID 18954705
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid (CID 20985299) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid is COc1ccccc1N1CCN(COc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid?
The InChIKey is HZPUEYJDRWYPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-25-16-8-6-15(7-9-16)19(22)23/h2-9H,10-14H2,1H3,(H,22,23).
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid has a molecular weight of 342.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid is sourced from PubChem (CID 20985299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).