2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride

C7H16Cl2N2O2 — CID 44891424

IUPAC2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride
SMILESCN1CCN(CC(=O)O)CC1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-8-2-4-9(5-3-8)6-7(10)11;;/h2-6H2,1H3,(H,10,11);2*1H
InChIKeyYGTMDEGZMDIKET-UHFFFAOYSA-N
MW231.12 g/mol
LogP0.16
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride

2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride (PubChem CID 44891424) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride
PubChem CID44891424
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Name2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride
SMILESCN1CCN(CC(=O)O)CC1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-8-2-4-9(5-3-8)6-7(10)11;;/h2-6H2,1H3,(H,10,11);2*1H
InChIKeyYGTMDEGZMDIKET-UHFFFAOYSA-N
XLogP0.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylpiperazin-1-yl)acetic acid
CID 2762732
1,4-Piperazinediacetic acid
CID 72640
(4-Isopropyl-piperazin-1-yl)-acetic acid
CID 2759512
2-[4-(Carboxymethyl)piperazin-1-yl]acetic acid dihydrochloride
CID 43810766
2-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 45791573
2-(4-Ethylpiperazin-1-yl)acetic acid hydrochloride
CID 67010630
2-(4-Ethylpiperazin-1-yl)acetic acid
CID 3163246
N-[2-(Dimethylamino)ethyl]-N-methyl-glycine
CID 17774209
2,2'-((2-(4-(Carboxymethyl)piperazin-1-yl)ethyl)azanediyl)diacetic acid
CID 15074370
[[2-(Dimethylamino)ethyl]imino]diacetic acid, dihydrochloride
CID 24180770
Carboxymethyl-[2-(dimethylamino)ethyl]-dimethylazanium
CID 2049076
[4-(2-Hydroxy-ethyl)-piperazine-1-yl]-acetic acid dihydrochloride
CID 2759307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride (CID 44891424) is 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride is CN1CCN(CC(=O)O)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride?
The InChIKey is YGTMDEGZMDIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-8-2-4-9(5-3-8)6-7(10)11;;/h2-6H2,1H3,(H,10,11);2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride?
2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 44891424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).