3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride

C7H16Cl2N2O2 — CID 154852977

IUPAC3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
SMILESCN1CCNC(CCO)C1=O.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-6(2-5-10)7(9)11;;/h6,8,10H,2-5H2,1H3;2*1H
InChIKeyHHKXACQGCHTETB-UHFFFAOYSA-N
MW231.12 g/mol
LogP-0.36
Rot. Bonds2

About 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride

3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride (PubChem CID 154852977) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
PubChem CID154852977
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Name3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
SMILESCN1CCNC(CCO)C1=O.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-6(2-5-10)7(9)11;;/h6,8,10H,2-5H2,1H3;2*1H
InChIKeyHHKXACQGCHTETB-UHFFFAOYSA-N
XLogP-0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride?
The IUPAC name of 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride (CID 154852977) is 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride?
The canonical SMILES for 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride is CN1CCNC(CCO)C1=O.Cl.Cl.
What is the InChIKey of 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride?
The InChIKey is HHKXACQGCHTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-9-4-3-8-6(2-5-10)7(9)11;;/h6,8,10H,2-5H2,1H3;2*1H.
What are the key properties of 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride?
3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride is sourced from PubChem (CID 154852977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).