2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid

C14H20N2O2 — CID 54890187

IUPAC2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid
SMILESCc1ccc(C(C(=O)O)N2CCNCC2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-12(11(2)9-10)13(14(17)18)16-7-5-15-6-8-16/h3-4,9,13,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyWSSDEPQCQKPQKV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid

2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid (PubChem CID 54890187) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid
PubChem CID54890187
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid
SMILESCc1ccc(C(C(=O)O)N2CCNCC2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-12(11(2)9-10)13(14(17)18)16-7-5-15-6-8-16/h3-4,9,13,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyWSSDEPQCQKPQKV-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
(2S)-2-(2,4-dimethylphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetic acid
CID 97192195
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171282246
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
(2S)-2-(2,4-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetic acid
CID 97209526
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(1S)-1-(2,4-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171282259
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid (CID 54890187) is 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid is Cc1ccc(C(C(=O)O)N2CCNCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid?
The InChIKey is WSSDEPQCQKPQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-12(11(2)9-10)13(14(17)18)16-7-5-15-6-8-16/h3-4,9,13,15H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid?
2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 54890187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).