2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one

C8H16N2O2 — CID 550878

IUPAC2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-7(11)8(12)10-5-3-9(2)4-6-10/h7,11H,3-6H2,1-2H3
InChIKeyFNYMKLFWUULREY-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds1

About 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one

2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 550878) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID550878
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-7(11)8(12)10-5-3-9(2)4-6-10/h7,11H,3-6H2,1-2H3
InChIKeyFNYMKLFWUULREY-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one (CID 550878) is 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one is CC(O)C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is FNYMKLFWUULREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11)8(12)10-5-3-9(2)4-6-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 550878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).