2-(1-methylpiperazin-2-yl)oxyacetic acid

C7H14N2O3 — CID 70343021

IUPAC2-(1-methylpiperazin-2-yl)oxyacetic acid
SMILESCN1CCNCC1OCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-9-3-2-8-4-6(9)12-5-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyIZLGIDUSXGTDPF-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.05
Rot. Bonds3

About 2-(1-methylpiperazin-2-yl)oxyacetic acid

2-(1-methylpiperazin-2-yl)oxyacetic acid (PubChem CID 70343021) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(1-methylpiperazin-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-methylpiperazin-2-yl)oxyacetic acid
PubChem CID70343021
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(1-methylpiperazin-2-yl)oxyacetic acid
SMILESCN1CCNCC1OCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-9-3-2-8-4-6(9)12-5-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyIZLGIDUSXGTDPF-UHFFFAOYSA-N
XLogP-1.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
CID 83817784
(2R)-2-methoxy-1-methylpiperazine
CID 174835228
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-6-yl]oxy]acetic acid
CID 162343768
2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid
CID 154536862
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
2-[(2S,3R)-2-methoxycarbonyl-1-methylpyrrolidin-3-yl]oxyacetic acid
CID 174164366
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
(1-methylpiperazin-2-yl)methyl dihydrogen phosphate
CID 68639832
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperazin-2-yl)oxyacetic acid?
The IUPAC name of 2-(1-methylpiperazin-2-yl)oxyacetic acid (CID 70343021) is 2-(1-methylpiperazin-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-methylpiperazin-2-yl)oxyacetic acid?
The canonical SMILES for 2-(1-methylpiperazin-2-yl)oxyacetic acid is CN1CCNCC1OCC(=O)O.
What is the InChIKey of 2-(1-methylpiperazin-2-yl)oxyacetic acid?
The InChIKey is IZLGIDUSXGTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-9-3-2-8-4-6(9)12-5-7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(1-methylpiperazin-2-yl)oxyacetic acid?
2-(1-methylpiperazin-2-yl)oxyacetic acid has a molecular weight of 174.20 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperazin-2-yl)oxyacetic acid is sourced from PubChem (CID 70343021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).