4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid

C9H18N2O3 — CID 67211888

IUPAC4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCC1CN(CCO)CC(C)N1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-7-5-10(3-4-12)6-8(2)11(7)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyMUTCHDQQWVRFKS-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds2

About 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid

4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 67211888) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID67211888
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCC1CN(CCO)CC(C)N1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-7-5-10(3-4-12)6-8(2)11(7)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyMUTCHDQQWVRFKS-UHFFFAOYSA-N
XLogP0.05
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
2-(3,5-dimethyl-4-nitrosopiperazin-1-yl)ethanol
CID 87376207
(2S,6R)-4-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 175185866
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
2,6-dimethyl-4-nitrosopiperazine-1-carboxylic acid
CID 45115699
3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009602
(2R)-4-(2-hydroxyethyl)-2-methylpiperazine-1-carbaldehyde
CID 153411070
ethane;2-[4-(2-hydroxyethyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
CID 170569135
1-(4-ethyl-2,6-dimethylpiperazin-1-yl)ethanone
CID 131132044
4-[(4-methoxycarbonylphenyl)methyl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 151012323
(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid
CID 126509085

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid (CID 67211888) is 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid is CC1CN(CCO)CC(C)N1C(=O)O.
What is the InChIKey of 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is MUTCHDQQWVRFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7-5-10(3-4-12)6-8(2)11(7)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid?
4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 67211888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).