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

C8H16N2O2 — CID 3146197

IUPAC2-(1,4-dimethylpiperazin-2-yl)acetic acid
SMILESCN1CCN(C)C(CC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-9-3-4-10(2)7(6-9)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyKOKQHWWFKGJYCZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.29
Rot. Bonds2

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

2-(1,4-dimethylpiperazin-2-yl)acetic acid (PubChem CID 3146197) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)acetic acid
PubChem CID3146197
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)acetic acid
SMILESCN1CCN(C)C(CC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-9-3-4-10(2)7(6-9)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyKOKQHWWFKGJYCZ-UHFFFAOYSA-N
XLogP-0.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpiperazin-1-yl)propanoic acid
CID 1395380
Ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate
CID 574748
3-(4-Ethylpiperazin-1-yl)propanoic acid
CID 3155212
3-(1-Piperidinyl)butanoic acid
CID 10512494
1,4-Piperazinedibutanic acid
CID 19437333
Methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate
CID 135056336
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanoic acid
CID 55140002
3-(4-Ethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55148618
3-(4-Butan-2-ylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55148641
3-(3,4-Dimethylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55215845
3-(4-Ethyl-3-methylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55215847
3-(3-Ethyl-4-methylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55215849

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)acetic acid (CID 3146197) is 2-(1,4-dimethylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)acetic acid is CN1CCN(C)C(CC(=O)O)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)acetic acid?
The InChIKey is KOKQHWWFKGJYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-4-10(2)7(6-9)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)acetic acid?
2-(1,4-dimethylpiperazin-2-yl)acetic acid has a molecular weight of 172.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 3146197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).