4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one

C12H24N2O2 — CID 12581006

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
SMILESCC1(C)CN(C(C)(C)CO)C(C)(C)C(=O)N1
InChIInChI=1S/C12H24N2O2/c1-10(2)7-14(11(3,4)8-15)12(5,6)9(16)13-10/h15H,7-8H2,1-6H3,(H,13,16)
InChIKeyUJBIGEYJLKONEJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one

4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one (PubChem CID 12581006) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
PubChem CID12581006
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
SMILESCC1(C)CN(C(C)(C)CO)C(C)(C)C(=O)N1
InChIInChI=1S/C12H24N2O2/c1-10(2)7-14(11(3,4)8-15)12(5,6)9(16)13-10/h15H,7-8H2,1-6H3,(H,13,16)
InChIKeyUJBIGEYJLKONEJ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 54582542
2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
1-(1-Hydroxy-2-methylpropan-2-yl)-3,3,5,5-tetramethylpiperazin-2-one
CID 12580998
2-[4-(1-Hydroxybutan-2-yl)piperazin-1-yl]butanamide
CID 72115435
N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide
CID 75498932
6-[(Tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one
CID 134907530
6-Ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one
CID 134907544
5-[(Tert-butylamino)methyl]-3-ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,5-dimethylpiperazin-2-one
CID 134907606
5-[(Tert-butylamino)methyl]-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
CID 134907672
6-[(Tert-butylamino)methyl]-4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6-trimethylpiperazin-2-one
CID 134907690
5-Ethyl-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
CID 134975578
2-Amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 79797064

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one (CID 12581006) is 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one is CC1(C)CN(C(C)(C)CO)C(C)(C)C(=O)N1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one?
The InChIKey is UJBIGEYJLKONEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)7-14(11(3,4)8-15)12(5,6)9(16)13-10/h15H,7-8H2,1-6H3,(H,13,16).
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one?
4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one is sourced from PubChem (CID 12581006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).