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

C9H18N2O2 — CID 91476470

IUPAC3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(CO)C(=O)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-8(7-12)9(13)11-5-3-10(2)4-6-11/h8,12H,3-7H2,1-2H3
InChIKeyZVOHKLQCAMZQIY-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.61
Rot. Bonds2

About 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 91476470) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID91476470
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(CO)C(=O)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-8(7-12)9(13)11-5-3-10(2)4-6-11/h8,12H,3-7H2,1-2H3
InChIKeyZVOHKLQCAMZQIY-UHFFFAOYSA-N
XLogP-0.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 91476470) is 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is CC(CO)C(=O)N1CCN(C)CC1.
What is the InChIKey of 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is ZVOHKLQCAMZQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(7-12)9(13)11-5-3-10(2)4-6-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 91476470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).