3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid

C11H19F3N2O2 — CID 63068448

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid
SMILESCN(C)C1CCN(C(CC(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-15(2)8-3-5-16(6-4-8)9(7-10(17)18)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyGVJICXNEXISUGU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.42
Rot. Bonds4

About 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid

3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid (PubChem CID 63068448) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid
PubChem CID63068448
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid
SMILESCN(C)C1CCN(C(CC(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-15(2)8-3-5-16(6-4-8)9(7-10(17)18)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyGVJICXNEXISUGU-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)pyrrolidin-1-yl]-4,4,4-trifluorobutanoic acid
CID 55225240
3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 83824790
4,4,4-trifluoro-3-(3-propoxypiperidin-1-yl)butanoic acid
CID 63075262
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162
4,4,4-trifluoro-3-[2-(hydroxymethyl)piperidin-1-yl]butanoic acid
CID 83825569
3-(2-cyclopentylpyrrolidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 63067625
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
CID 64712123
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 167014220
3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
CID 63067633
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid (CID 63068448) is 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid is CN(C)C1CCN(C(CC(=O)O)C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid?
The InChIKey is GVJICXNEXISUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-15(2)8-3-5-16(6-4-8)9(7-10(17)18)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid?
3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).