tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C17H24F3N3O3 — CID 58873328

IUPACtert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(C(F)(F)F)ccc2CN)CC1
InChIInChI=1S/C17H24F3N3O3/c1-16(2,3)26-15(24)23-8-6-12(7-9-23)25-14-11(10-21)4-5-13(22-14)17(18,19)20/h4-5,12H,6-10,21H2,1-3H3
InChIKeyCGNTVLJKXSVXKA-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 58873328) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID58873328
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Nametert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(C(F)(F)F)ccc2CN)CC1
InChIInChI=1S/C17H24F3N3O3/c1-16(2,3)26-15(24)23-8-6-12(7-9-23)25-14-11(10-21)4-5-13(22-14)17(18,19)20/h4-5,12H,6-10,21H2,1-3H3
InChIKeyCGNTVLJKXSVXKA-UHFFFAOYSA-N
XLogP3.34
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 58873328) is tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nc(C(F)(F)F)ccc2CN)CC1.
What is the InChIKey of tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is CGNTVLJKXSVXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-16(2,3)26-15(24)23-8-6-12(7-9-23)25-14-11(10-21)4-5-13(22-14)17(18,19)20/h4-5,12H,6-10,21H2,1-3H3.
What are the key properties of tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 375.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 58873328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).