tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

C16H24N2O3 — CID 118610511

IUPACtert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2=CCNCC2)N(C(=O)OC(C)(C)C)CC=C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(20-4)14(18)12-7-9-17-10-8-12/h5-7,17H,8-11H2,1-4H3
InChIKeyZEQXYOBHBDQMKX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 118610511) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID118610511
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2=CCNCC2)N(C(=O)OC(C)(C)C)CC=C1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(20-4)14(18)12-7-9-17-10-8-12/h5-7,17H,8-11H2,1-4H3
InChIKeyZEQXYOBHBDQMKX-UHFFFAOYSA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 118610511) is tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is COC1=C(C2=CCNCC2)N(C(=O)OC(C)(C)C)CC=C1.
What is the InChIKey of tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is ZEQXYOBHBDQMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(20-4)14(18)12-7-9-17-10-8-12/h5-7,17H,8-11H2,1-4H3.
What are the key properties of tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 118610511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).