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

C12H14F3N3O3 — CID 141342001

IUPAC2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCc1cc(OC2CCCCN2C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O3/c1-7-6-8(17-10(16-7)12(13,14)15)21-9-4-2-3-5-18(9)11(19)20/h6,9H,2-5H2,1H3,(H,19,20)
InChIKeyNBGZNGCVPCRGEP-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.67
Rot. Bonds2

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

2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 141342001) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID141342001
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCc1cc(OC2CCCCN2C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O3/c1-7-6-8(17-10(16-7)12(13,14)15)21-9-4-2-3-5-18(9)11(19)20/h6,9H,2-5H2,1H3,(H,19,20)
InChIKeyNBGZNGCVPCRGEP-UHFFFAOYSA-N
XLogP2.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 141342001) is 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is Cc1cc(OC2CCCCN2C(=O)O)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is NBGZNGCVPCRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-7-6-8(17-10(16-7)12(13,14)15)21-9-4-2-3-5-18(9)11(19)20/h6,9H,2-5H2,1H3,(H,19,20).
What are the key properties of 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 141342001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).