3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one

C14H28N2O2 — CID 18760503

IUPAC3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)NC(C)(C)CN(C(C)(C)CO)C1=O
InChIInChI=1S/C14H28N2O2/c1-7-14(8-2)11(18)16(13(5,6)10-17)9-12(3,4)15-14/h15,17H,7-10H2,1-6H3
InChIKeyNOBMHBRBUYKKAF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds4

About 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one

3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one (PubChem CID 18760503) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one
PubChem CID18760503
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one
SMILESCCC1(CC)NC(C)(C)CN(C(C)(C)CO)C1=O
InChIInChI=1S/C14H28N2O2/c1-7-14(8-2)11(18)16(13(5,6)10-17)9-12(3,4)15-14/h15,17H,7-10H2,1-6H3
InChIKeyNOBMHBRBUYKKAF-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one (CID 18760503) is 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one is CCC1(CC)NC(C)(C)CN(C(C)(C)CO)C1=O.
What is the InChIKey of 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one?
The InChIKey is NOBMHBRBUYKKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-14(8-2)11(18)16(13(5,6)10-17)9-12(3,4)15-14/h15,17H,7-10H2,1-6H3.
What are the key properties of 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one?
3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 18760503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).