2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid

C14H20N2O2 — CID 82118959

IUPAC2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
SMILESCc1cc(C)cc(N2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11-7-12(2)9-13(8-11)16-5-3-15(4-6-16)10-14(17)18/h7-9H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyGOOHOUXRNMXEDF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds3

About 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid

2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid (PubChem CID 82118959) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
PubChem CID82118959
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
SMILESCc1cc(C)cc(N2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11-7-12(2)9-13(8-11)16-5-3-15(4-6-16)10-14(17)18/h7-9H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyGOOHOUXRNMXEDF-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
2-[4-[(3,5-dimethylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61189511
2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid
CID 62306876
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113075589
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
4-amino-5-[4-(3,5-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 66920440
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid (CID 82118959) is 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid is Cc1cc(C)cc(N2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid?
The InChIKey is GOOHOUXRNMXEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-12(2)9-13(8-11)16-5-3-15(4-6-16)10-14(17)18/h7-9H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid?
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82118959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).