4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C14H19F3N4O3 — CID 67955028

IUPAC4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCN(C)Cc1cc(OC2CCN(C(=O)O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4O3/c1-20(2)8-9-7-11(19-12(18-9)14(15,16)17)24-10-3-5-21(6-4-10)13(22)23/h7,10H,3-6,8H2,1-2H3,(H,22,23)
InChIKeyLTSKWASXRJGGPL-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.08
Rot. Bonds4

About 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 67955028) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID67955028
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Name4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCN(C)Cc1cc(OC2CCN(C(=O)O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4O3/c1-20(2)8-9-7-11(19-12(18-9)14(15,16)17)24-10-3-5-21(6-4-10)13(22)23/h7,10H,3-6,8H2,1-2H3,(H,22,23)
InChIKeyLTSKWASXRJGGPL-UHFFFAOYSA-N
XLogP2.08
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 67955028) is 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is CN(C)Cc1cc(OC2CCN(C(=O)O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is LTSKWASXRJGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-20(2)8-9-7-11(19-12(18-9)14(15,16)17)24-10-3-5-21(6-4-10)13(22)23/h7,10H,3-6,8H2,1-2H3,(H,22,23).
What are the key properties of 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 348.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67955028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).