tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C15H23NO3 — CID 146498266

IUPACtert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2=CCOCC2)CC1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)16-8-4-12(5-9-16)13-6-10-18-11-7-13/h4,6H,5,7-11H2,1-3H3
InChIKeyGTAYYFMYNZIXAL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 146498266) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID146498266
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2=CCOCC2)CC1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)16-8-4-12(5-9-16)13-6-10-18-11-7-13/h4,6H,5,7-11H2,1-3H3
InChIKeyGTAYYFMYNZIXAL-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 146498266) is tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(C2=CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GTAYYFMYNZIXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(17)16-8-4-12(5-9-16)13-6-10-18-11-7-13/h4,6H,5,7-11H2,1-3H3.
What are the key properties of tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 146498266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).