2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid

C17H26N2O2 — CID 83978717

IUPAC2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid
SMILESCC(C)c1ccc(C(C(=O)O)N2CCN(C)CC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-5-7-15(8-6-14)16(17(20)21)19-10-9-18(4)11-13(19)3/h5-8,12-13,16H,9-11H2,1-4H3,(H,20,21)
InChIKeyWQWRAVLSRWOWAL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid

2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid (PubChem CID 83978717) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid
PubChem CID83978717
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid
SMILESCC(C)c1ccc(C(C(=O)O)N2CCN(C)CC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-5-7-15(8-6-14)16(17(20)21)19-10-9-18(4)11-13(19)3/h5-8,12-13,16H,9-11H2,1-4H3,(H,20,21)
InChIKeyWQWRAVLSRWOWAL-UHFFFAOYSA-N
XLogP2.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 83977943
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979249
2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954
4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 114087069
2-[4-(2-methylpropoxy)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)acetic acid
CID 112540231
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-(3-chlorophenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83977772
1-(4-bromophenyl)-2-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 114086942
methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
CID 135240223
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid (CID 83978717) is 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid is CC(C)c1ccc(C(C(=O)O)N2CCN(C)CC2C)cc1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid?
The InChIKey is WQWRAVLSRWOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)14-5-7-15(8-6-14)16(17(20)21)19-10-9-18(4)11-13(19)3/h5-8,12-13,16H,9-11H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid?
2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid has a molecular weight of 290.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 83978717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).