2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid

C14H20N2O3 — CID 83977943

IUPAC2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid
SMILESCC1CN(C)CCN1C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O3/c1-10-9-15(2)6-7-16(10)13(14(18)19)11-4-3-5-12(17)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyNVAAJVBASKXQHI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds3

About 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid

2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid (PubChem CID 83977943) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid
PubChem CID83977943
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid
SMILESCC1CN(C)CCN1C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O3/c1-10-9-15(2)6-7-16(10)13(14(18)19)11-4-3-5-12(17)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyNVAAJVBASKXQHI-UHFFFAOYSA-N
XLogP1.15
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(4-propan-2-ylphenyl)acetic acid
CID 83978717
2-(3-hydroxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83977931
2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 83980212
2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954
2-(3-chlorophenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83977772
4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 114087069
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
(2S)-2-(3-hydroxyphenyl)-2-[4-(4-methoxyphenoxy)piperidin-1-yl]acetic acid
CID 97205564
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979249

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid (CID 83977943) is 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid is CC1CN(C)CCN1C(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid?
The InChIKey is NVAAJVBASKXQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-15(2)6-7-16(10)13(14(18)19)11-4-3-5-12(17)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid?
2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 83977943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).