2-(4-methylpiperazin-1-yl)-2-phenylacetic acid

C13H18N2O2 — CID 22957262

IUPAC2-(4-methylpiperazin-1-yl)-2-phenylacetic acid
SMILESCN1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)
InChIKeyOQZOPIFSTNJPIM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.06
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid

2-(4-methylpiperazin-1-yl)-2-phenylacetic acid (PubChem CID 22957262) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-phenylacetic acid
PubChem CID22957262
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-methylpiperazin-1-yl)-2-phenylacetic acid
SMILESCN1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)
InChIKeyOQZOPIFSTNJPIM-UHFFFAOYSA-N
XLogP1.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
N-Acetyl-DL-phenylglycine
CID 85935
2-(Dimethylamino)-3-phenylpropanoic acid
CID 140236
(3s)-2-l-Alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13038590
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid hydrochloride
CID 2733448
2-(Methylamino)-2-phenylacetic acid
CID 228214
Piprocurarium Iodide
CID 24418
Dipiproverine Hydrochloride
CID 72071
(+)-N-Methyl-L-phenylglycine
CID 681675
1,2,3,4-Tetrahydroisoquinoline carboxylic acid
CID 189112

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid (CID 22957262) is 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid is CN1CCN(C(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid?
The InChIKey is OQZOPIFSTNJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid?
2-(4-methylpiperazin-1-yl)-2-phenylacetic acid has a molecular weight of 234.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 22957262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).