1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one

C13H25NO2 — CID 20635188

IUPAC1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one
SMILESCC1(C)CCN(C(C)(C)C(C)(C)O)C(=O)C1
InChIInChI=1S/C13H25NO2/c1-11(2)7-8-14(10(15)9-11)12(3,4)13(5,6)16/h16H,7-9H2,1-6H3
InChIKeySXUVEUBTMQYSGE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.18
Rot. Bonds2

About 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one

1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one (PubChem CID 20635188) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one
PubChem CID20635188
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one
SMILESCC1(C)CCN(C(C)(C)C(C)(C)O)C(=O)C1
InChIInChI=1S/C13H25NO2/c1-11(2)7-8-14(10(15)9-11)12(3,4)13(5,6)16/h16H,7-9H2,1-6H3
InChIKeySXUVEUBTMQYSGE-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one?
The IUPAC name of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one (CID 20635188) is 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one?
The canonical SMILES for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one is CC1(C)CCN(C(C)(C)C(C)(C)O)C(=O)C1.
What is the InChIKey of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one?
The InChIKey is SXUVEUBTMQYSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)7-8-14(10(15)9-11)12(3,4)13(5,6)16/h16H,7-9H2,1-6H3.
What are the key properties of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one?
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one is sourced from PubChem (CID 20635188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).