4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid

C18H21N3O3 — CID 118918204

IUPAC4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid
SMILESNc1ccccc1COc1ccc(N2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C18H21N3O3/c19-17-4-2-1-3-14(17)13-24-16-7-5-15(6-8-16)20-9-11-21(12-10-20)18(22)23/h1-8H,9-13,19H2,(H,22,23)
InChIKeyGAEYVSHXTDYSGE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds4

About 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid

4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid (PubChem CID 118918204) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid
PubChem CID118918204
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid
SMILESNc1ccccc1COc1ccc(N2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C18H21N3O3/c19-17-4-2-1-3-14(17)13-24-16-7-5-15(6-8-16)20-9-11-21(12-10-20)18(22)23/h1-8H,9-13,19H2,(H,22,23)
InChIKeyGAEYVSHXTDYSGE-UHFFFAOYSA-N
XLogP2.65
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
CID 89443969
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid (CID 118918204) is 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid is Nc1ccccc1COc1ccc(N2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid?
The InChIKey is GAEYVSHXTDYSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-17-4-2-1-3-14(17)13-24-16-7-5-15(6-8-16)20-9-11-21(12-10-20)18(22)23/h1-8H,9-13,19H2,(H,22,23).
What are the key properties of 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid?
4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 118918204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).