4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid

C11H19NO3 — CID 3102906

IUPAC4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CCCC(C)N1C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-8-4-3-5-9(2)12(8)10(13)6-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyZTFWHVOFAVHCDK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds3

About 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid

4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 3102906) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID3102906
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CCCC(C)N1C(=O)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-8-4-3-5-9(2)12(8)10(13)6-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyZTFWHVOFAVHCDK-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
4-Oxo-4-(piperidin-1-yl)butanoic acid
CID 792860
4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
4-(Didodecylamino)-4-oxobutanoic acid
CID 19855169
4-[Cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 3559936
4-[(1-Acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid
CID 4133220
4-(3,5-Dimethylpiperidin-1-yl)-4-oxobutanoic acid
CID 3385344
N,N-Dihexyl-succinamic acid
CID 575037
4-(Dicyclohexylamino)-4-oxobutanoic acid
CID 586586
4-(4-Fluoropiperidin-1-yl)-4-oxobutanoic acid
CID 121200833
4-(3-Fluoropiperidin-1-yl)-4-oxobutanoic acid
CID 121200862
4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid
CID 129493794

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid (CID 3102906) is 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid is CC1CCCC(C)N1C(=O)CCC(=O)O.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is ZTFWHVOFAVHCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-3-5-9(2)12(8)10(13)6-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid?
4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 3102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).