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

C12H24N2O2 — CID 134435805

IUPAC2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(C)C(O)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)11(15)12(16)14-7-5-13(6-8-14)10(3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyKVRLNLFSXIKFDB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds3

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

2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 134435805) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
PubChem CID134435805
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(C)C(O)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)11(15)12(16)14-7-5-13(6-8-14)10(3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyKVRLNLFSXIKFDB-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
2-bromo-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 43585221
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
1-(aziridin-1-yl)-2,3-dimethylbutan-1-one
CID 126991389
3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 106111361
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (CID 134435805) is 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is CC(C)C(O)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is KVRLNLFSXIKFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)11(15)12(16)14-7-5-13(6-8-14)10(3)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 134435805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).