3-(2,5-difluorophenyl)piperazine-1-carboxylic acid

C11H12F2N2O2 — CID 175494190

IUPAC3-(2,5-difluorophenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H12F2N2O2/c12-7-1-2-9(13)8(5-7)10-6-15(11(16)17)4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,16,17)
InChIKeyRJTAVXLZIZOPPT-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.59
Rot. Bonds1

About 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid

3-(2,5-difluorophenyl)piperazine-1-carboxylic acid (PubChem CID 175494190) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)piperazine-1-carboxylic acid
PubChem CID175494190
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name3-(2,5-difluorophenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H12F2N2O2/c12-7-1-2-9(13)8(5-7)10-6-15(11(16)17)4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,16,17)
InChIKeyRJTAVXLZIZOPPT-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)piperazine-1-carboxylic acid
CID 175494242
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 142506906
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate
CID 82308835
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
CID 174947937
CID 174947937
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid?
The IUPAC name of 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid (CID 175494190) is 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid is O=C(O)N1CCNC(c2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid?
The InChIKey is RJTAVXLZIZOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-7-1-2-9(13)8(5-7)10-6-15(11(16)17)4-3-14-10/h1-2,5,10,14H,3-4,6H2,(H,16,17).
What are the key properties of 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid?
3-(2,5-difluorophenyl)piperazine-1-carboxylic acid has a molecular weight of 242.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175494190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).