(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one

C12H24N2O2 — CID 146606685

IUPAC(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(15)11(16)14-7-5-13(6-8-14)9-12(2,3)4/h10,15H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyFOOVUMQOQXOMDV-JTQLQIEISA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds2

About (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one

(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 146606685) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one
PubChem CID146606685
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(15)11(16)14-7-5-13(6-8-14)9-12(2,3)4/h10,15H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyFOOVUMQOQXOMDV-JTQLQIEISA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2995934
(2S)-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 92860491
(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 95341089
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124199408
3,3,3-Trifluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 126759955
1-(4-Ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 138607826
1-(4-Methyl-1-piperazinyl)-1-oxo-2-propanol
CID 550878
4,4,4-Trifluoro-1-[4-(2-hydroxypropanoyl)piperazin-1-yl]butan-1-one
CID 75437409
4,4,4-trifluoro-1-[4-[(2S)-2-hydroxypropanoyl]piperazin-1-yl]butan-1-one
CID 97330706
4,4,4-trifluoro-1-[4-[(2R)-2-hydroxypropanoyl]piperazin-1-yl]butan-1-one
CID 97330707
2-Hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 109916492
1-[4-(3-Fluoropropyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 109916540

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one (CID 146606685) is (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CCN(CC(C)(C)C)CC1.
What is the InChIKey of (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is FOOVUMQOQXOMDV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(15)11(16)14-7-5-13(6-8-14)9-12(2,3)4/h10,15H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one?
(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 146606685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).