tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate

C16H21NO2 — CID 15202060

IUPACtert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyFZFOZJKBMLXIQS-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.06
Rot. Bonds1

About tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15202060) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID15202060
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nametert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyFZFOZJKBMLXIQS-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 15202060) is tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC=C1c1ccccc1.
What is the InChIKey of tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FZFOZJKBMLXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h4-6,9-11H,7-8,12H2,1-3H3.
What are the key properties of tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15202060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).