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

C17H23NO3 — CID 25171336

IUPACtert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccc(C2=CCCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(19)18-12-6-5-7-15(18)13-8-10-14(20-4)11-9-13/h7-11H,5-6,12H2,1-4H3
InChIKeyHCSQRIZZFNDBKZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.07
Rot. Bonds2

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

tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 25171336) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID25171336
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccc(C2=CCCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)21-16(19)18-12-6-5-7-15(18)13-8-10-14(20-4)11-9-13/h7-11H,5-6,12H2,1-4H3
InChIKeyHCSQRIZZFNDBKZ-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101115959
tert-butyl 7-pyridin-4-yl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 122402537
tert-butyl 7-(4-cyanophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11185613
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10015249
tert-butyl 7-(1-benzofuran-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11266992
tert-butyl 6-trimethylsilyloxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 69254395
tert-butyl 5-(4-phenoxyphenyl)-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 86680675
tert-butyl 2-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 69191573
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]propanoic acid
CID 166402844
tert-butyl 3-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113845

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 25171336) is tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate is COc1ccc(C2=CCCCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HCSQRIZZFNDBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)21-16(19)18-12-6-5-7-15(18)13-8-10-14(20-4)11-9-13/h7-11H,5-6,12H2,1-4H3.
What are the key properties of tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 25171336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).