3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one

C12H24N2O2 — CID 106357937

IUPAC3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one
SMILESCC(C)(C)C(CCO)N1CCCC(N)C1=O
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(6-8-15)14-7-4-5-9(13)11(14)16/h9-10,15H,4-8,13H2,1-3H3
InChIKeyMMPBFLCJJCTOCV-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds3

About 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one

3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one (PubChem CID 106357937) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one
PubChem CID106357937
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one
SMILESCC(C)(C)C(CCO)N1CCCC(N)C1=O
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10(6-8-15)14-7-4-5-9(13)11(14)16/h9-10,15H,4-8,13H2,1-3H3
InChIKeyMMPBFLCJJCTOCV-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one (CID 106357937) is 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one is CC(C)(C)C(CCO)N1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one?
The InChIKey is MMPBFLCJJCTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)10(6-8-15)14-7-4-5-9(13)11(14)16/h9-10,15H,4-8,13H2,1-3H3.
What are the key properties of 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one?
3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one is sourced from PubChem (CID 106357937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).