4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid

C13H26N2O2 — CID 65248161

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
SMILESCN(C)C1CCN(CCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,12(16)17)7-10-15-8-5-11(6-9-15)14(3)4/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyWTBULESNUGJIRV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds5

About 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid

4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid (PubChem CID 65248161) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
PubChem CID65248161
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
SMILESCN(C)C1CCN(CCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,12(16)17)7-10-15-8-5-11(6-9-15)14(3)4/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyWTBULESNUGJIRV-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid (CID 65248161) is 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid is CN(C)C1CCN(CCC(C)(C)C(=O)O)CC1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid?
The InChIKey is WTBULESNUGJIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,12(16)17)7-10-15-8-5-11(6-9-15)14(3)4/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid?
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).