2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid

C15H22N2O2 — CID 4741827

IUPAC2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
SMILESCc1cc(C)c(N2CCN(CC(=O)O)CC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-11-8-12(2)15(13(3)9-11)17-6-4-16(5-7-17)10-14(18)19/h8-9H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyQCPXQCRWBBQGER-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds3

About 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid

2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid (PubChem CID 4741827) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
PubChem CID4741827
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
SMILESCc1cc(C)c(N2CCN(CC(=O)O)CC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-11-8-12(2)15(13(3)9-11)17-6-4-16(5-7-17)10-14(18)19/h8-9H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyQCPXQCRWBBQGER-UHFFFAOYSA-N
XLogP1.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoic acid
CID 4741828
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
CID 82118959
2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid
CID 62306876
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate
CID 2051651
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
2-[4-[(3,5-dimethylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61189511
2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetic acid
CID 65055872
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid (CID 4741827) is 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid is Cc1cc(C)c(N2CCN(CC(=O)O)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid?
The InChIKey is QCPXQCRWBBQGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-12(2)15(13(3)9-11)17-6-4-16(5-7-17)10-14(18)19/h8-9H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid?
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 4741827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).