1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride

C7H15ClN2O2 — CID 167733181

IUPAC1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCNC(CO)C1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-6(11)9-3-2-8-7(4-9)5-10;/h7-8,10H,2-5H2,1H3;1H
InChIKeyMYENKJOXUKFYLD-UHFFFAOYSA-N
MW194.66 g/mol
LogP-0.78
Rot. Bonds1

About 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride

1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 167733181) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID167733181
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCNC(CO)C1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-6(11)9-3-2-8-7(4-9)5-10;/h7-8,10H,2-5H2,1H3;1H
InChIKeyMYENKJOXUKFYLD-UHFFFAOYSA-N
XLogP-0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride (CID 167733181) is 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCNC(CO)C1.Cl.
What is the InChIKey of 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is MYENKJOXUKFYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-6(11)9-3-2-8-7(4-9)5-10;/h7-8,10H,2-5H2,1H3;1H.
What are the key properties of 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride?
1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 167733181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).