4-(2-aminophenyl)piperazine-1-carboxylic acid

C11H15N3O2 — CID 68854737

IUPAC4-(2-aminophenyl)piperazine-1-carboxylic acid
SMILESNc1ccccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C11H15N3O2/c12-9-3-1-2-4-10(9)13-5-7-14(8-6-13)11(15)16/h1-4H,5-8,12H2,(H,15,16)
InChIKeyKRXANAQDWXMETJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.07
Rot. Bonds1

About 4-(2-aminophenyl)piperazine-1-carboxylic acid

4-(2-aminophenyl)piperazine-1-carboxylic acid (PubChem CID 68854737) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-aminophenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminophenyl)piperazine-1-carboxylic acid
PubChem CID68854737
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(2-aminophenyl)piperazine-1-carboxylic acid
SMILESNc1ccccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C11H15N3O2/c12-9-3-1-2-4-10(9)13-5-7-14(8-6-13)11(15)16/h1-4H,5-8,12H2,(H,15,16)
InChIKeyKRXANAQDWXMETJ-UHFFFAOYSA-N
XLogP1.07
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-diaminophenyl)piperazine-1-carboxylic acid
CID 141138614
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
4-(2-amino-3-methoxycarbonylphenyl)piperazine-1-carboxylic acid
CID 176889718
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
2-[4-(2-bromophenyl)piperazin-1-yl]aniline
CID 117013639
[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510289
4-(4-amino-2-chlorophenyl)piperazine-1-carboxylic acid
CID 67441822
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
2-[4-[1-[4-(2-phenylethynyl)phenyl]ethenyl]piperazin-1-yl]aniline
CID 70291424
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid
CID 21073349

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-aminophenyl)piperazine-1-carboxylic acid (CID 68854737) is 4-(2-aminophenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-aminophenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-aminophenyl)piperazine-1-carboxylic acid is Nc1ccccc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-aminophenyl)piperazine-1-carboxylic acid?
The InChIKey is KRXANAQDWXMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-3-1-2-4-10(9)13-5-7-14(8-6-13)11(15)16/h1-4H,5-8,12H2,(H,15,16).
What are the key properties of 4-(2-aminophenyl)piperazine-1-carboxylic acid?
4-(2-aminophenyl)piperazine-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 68854737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).