2-(4-bromophenyl)-2-piperazin-1-ylacetic acid

C12H15BrN2O2 — CID 11145832

IUPAC2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-9(2-4-10)11(12(16)17)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2,(H,16,17)
InChIKeyUBJTVBMOKZMSEV-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid

2-(4-bromophenyl)-2-piperazin-1-ylacetic acid (PubChem CID 11145832) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
PubChem CID11145832
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-9(2-4-10)11(12(16)17)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2,(H,16,17)
InChIKeyUBJTVBMOKZMSEV-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(4-acetylphenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
CID 118413005
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
ethyl 2-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60992975
2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetic acid
CID 104822558
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-(5-bromo-2-fluorophenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 54890387
2-(1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60994101
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-piperazin-1-yl-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148515

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid (CID 11145832) is 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid is O=C(O)C(c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid?
The InChIKey is UBJTVBMOKZMSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-3-1-9(2-4-10)11(12(16)17)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid?
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid has a molecular weight of 299.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 11145832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).