2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid

C11H14FN3O2 — CID 157205179

IUPAC2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
SMILESNc1ccc(C2CNCCN2C(=O)O)c(F)c1
InChIInChI=1S/C11H14FN3O2/c12-9-5-7(13)1-2-8(9)10-6-14-3-4-15(10)11(16)17/h1-2,5,10,14H,3-4,6,13H2,(H,16,17)
InChIKeyARGPNCKBCDKPFB-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.03
Rot. Bonds1

About 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid

2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid (PubChem CID 157205179) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
PubChem CID157205179
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
SMILESNc1ccc(C2CNCCN2C(=O)O)c(F)c1
InChIInChI=1S/C11H14FN3O2/c12-9-5-7(13)1-2-8(9)10-6-14-3-4-15(10)11(16)17/h1-2,5,10,14H,3-4,6,13H2,(H,16,17)
InChIKeyARGPNCKBCDKPFB-UHFFFAOYSA-N
XLogP1.03
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 22037098
[3,5-bis(trifluoromethyl)phenyl]methyl-methylazanide;2-(2,4-difluorophenyl)piperazine-1-carboxylic acid
CID 158867993
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
CID 22037137
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
CID 156798431
2-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylic acid
CID 69387946
2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
CID 150144828
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)piperazin-1-yl]methanone
CID 118016919
2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid
CID 174414931
(2S)-2-[2-[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]ethyl]piperazine-1-carboxylic acid
CID 68627627
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid (CID 157205179) is 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid is Nc1ccc(C2CNCCN2C(=O)O)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid?
The InChIKey is ARGPNCKBCDKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-5-7(13)1-2-8(9)10-6-14-3-4-15(10)11(16)17/h1-2,5,10,14H,3-4,6,13H2,(H,16,17).
What are the key properties of 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid?
2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 157205179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).