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

C16H21F3N2O3 — CID 86706857

IUPACtert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H21F3N2O3/c1-15(2,3)24-14(22)21-9-7-11(8-10-21)23-13-6-4-5-12(20-13)16(17,18)19/h4-6,11H,7-10H2,1-3H3
InChIKeyLHQPZJRBNJQGCB-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.88
Rot. Bonds2

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

tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 86706857) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID86706857
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Nametert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H21F3N2O3/c1-15(2,3)24-14(22)21-9-7-11(8-10-21)23-13-6-4-5-12(20-13)16(17,18)19/h4-6,11H,7-10H2,1-3H3
InChIKeyLHQPZJRBNJQGCB-UHFFFAOYSA-N
XLogP3.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 86706857) is tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is LHQPZJRBNJQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-15(2,3)24-14(22)21-9-7-11(8-10-21)23-13-6-4-5-12(20-13)16(17,18)19/h4-6,11H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 346.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 86706857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).