4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid

C14H17F3N2O4 — CID 67959484

IUPAC4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCOCc1cc(OC2CCN(C(=O)O)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4/c1-22-8-9-6-11(14(15,16)17)18-12(7-9)23-10-2-4-19(5-3-10)13(20)21/h6-7,10H,2-5,8H2,1H3,(H,20,21)
InChIKeyCTIPXTQKOFNLQN-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.77
Rot. Bonds4

About 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid

4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 67959484) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID67959484
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCOCc1cc(OC2CCN(C(=O)O)CC2)nc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4/c1-22-8-9-6-11(14(15,16)17)18-12(7-9)23-10-2-4-19(5-3-10)13(20)21/h6-7,10H,2-5,8H2,1H3,(H,20,21)
InChIKeyCTIPXTQKOFNLQN-UHFFFAOYSA-N
XLogP2.77
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 67959484) is 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid is COCc1cc(OC2CCN(C(=O)O)CC2)nc(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is CTIPXTQKOFNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-22-8-9-6-11(14(15,16)17)18-12(7-9)23-10-2-4-19(5-3-10)13(20)21/h6-7,10H,2-5,8H2,1H3,(H,20,21).
What are the key properties of 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 334.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 67959484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).