4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid

C8H16N2O3 — CID 68651622

IUPAC4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
SMILESCC1CN(CCO)CCN1C(=O)O
InChIInChI=1S/C8H16N2O3/c1-7-6-9(4-5-11)2-3-10(7)8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyWNBJXZRAFULXIL-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds2

About 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid

4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 68651622) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
PubChem CID68651622
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
SMILESCC1CN(CCO)CCN1C(=O)O
InChIInChI=1S/C8H16N2O3/c1-7-6-9(4-5-11)2-3-10(7)8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyWNBJXZRAFULXIL-UHFFFAOYSA-N
XLogP-0.34
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid (CID 68651622) is 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid is CC1CN(CCO)CCN1C(=O)O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is WNBJXZRAFULXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7-6-9(4-5-11)2-3-10(7)8(12)13/h7,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid?
4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.34, 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-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68651622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).