2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one

C11H22N2O2 — CID 126759953

IUPAC2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-10(14)11(15)13-6-4-12(3)5-7-13/h9-10,14H,4-8H2,1-3H3
InChIKeyRORMTZZOPCOTMI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds3

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

2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one (PubChem CID 126759953) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
PubChem CID126759953
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-10(14)11(15)13-6-4-12(3)5-7-13/h9-10,14H,4-8H2,1-3H3
InChIKeyRORMTZZOPCOTMI-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one (CID 126759953) is 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one is CC(C)CC(O)C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The InChIKey is RORMTZZOPCOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-10(14)11(15)13-6-4-12(3)5-7-13/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 126759953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).