2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C16H20FNO2 — CID 164666231

IUPAC2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC=C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-12(2)11-20-16(19)18-10-4-3-5-15(18)13-6-8-14(17)9-7-13/h3,5-9,12,15H,4,10-11H2,1-2H3/t15-/m1/s1
InChIKeyFUDKDMCLLUHQLV-OAHLLOKOSA-N
MW277.34 g/mol
LogP3.92
Rot. Bonds3

About 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 164666231) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID164666231
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC=C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-12(2)11-20-16(19)18-10-4-3-5-15(18)13-6-8-14(17)9-7-13/h3,5-9,12,15H,4,10-11H2,1-2H3/t15-/m1/s1
InChIKeyFUDKDMCLLUHQLV-OAHLLOKOSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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US11214540, Example 49
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ethyl N-benzyl-N-(trifluoromethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 164666231) is 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)COC(=O)N1CCC=C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FUDKDMCLLUHQLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-12(2)11-20-16(19)18-10-4-3-5-15(18)13-6-8-14(17)9-7-13/h3,5-9,12,15H,4,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 277.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (6R)-6-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 164666231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).