2-[(1-methylpiperazin-2-yl)methoxy]acetic acid

C8H16N2O3 — CID 83817784

IUPAC2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
SMILESCN1CCNCC1COCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-10-3-2-9-4-7(10)5-13-6-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyDRNMMCSPVFAITP-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.01
Rot. Bonds4

About 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid

2-[(1-methylpiperazin-2-yl)methoxy]acetic acid (PubChem CID 83817784) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
PubChem CID83817784
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
SMILESCN1CCNCC1COCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-10-3-2-9-4-7(10)5-13-6-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyDRNMMCSPVFAITP-UHFFFAOYSA-N
XLogP-1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpiperazin-2-yl)methyl dihydrogen phosphate
CID 68639832
2-(1-methylpiperazin-2-yl)oxyacetic acid
CID 70343021
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid (CID 83817784) is 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid is CN1CCNCC1COCC(=O)O.
What is the InChIKey of 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid?
The InChIKey is DRNMMCSPVFAITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-10-3-2-9-4-7(10)5-13-6-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(1-methylpiperazin-2-yl)methoxy]acetic acid?
2-[(1-methylpiperazin-2-yl)methoxy]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -1.01, 4 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)methoxy]acetic acid is sourced from PubChem (CID 83817784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).