ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate

C26H28N2O2 — CID 25110782

IUPACethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C26H28N2O2/c1-3-30-26(29)24-22(20-14-12-19(2)13-15-20)18-23(21-10-6-4-7-11-21)27-25(24)28-16-8-5-9-17-28/h4,6-7,10-15,18H,3,5,8-9,16-17H2,1-2H3
InChIKeyBTRPFZZQIYVMIY-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.89
Rot. Bonds5

About ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate

ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate (PubChem CID 25110782) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
PubChem CID25110782
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Nameethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C26H28N2O2/c1-3-30-26(29)24-22(20-14-12-19(2)13-15-20)18-23(21-10-6-4-7-11-21)27-25(24)28-16-8-5-9-17-28/h4,6-7,10-15,18H,3,5,8-9,16-17H2,1-2H3
InChIKeyBTRPFZZQIYVMIY-UHFFFAOYSA-N
XLogP5.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate (CID 25110782) is ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCCCC1.
What is the InChIKey of ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
The InChIKey is BTRPFZZQIYVMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-30-26(29)24-22(20-14-12-19(2)13-15-20)18-23(21-10-6-4-7-11-21)27-25(24)28-16-8-5-9-17-28/h4,6-7,10-15,18H,3,5,8-9,16-17H2,1-2H3.
What are the key properties of ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylphenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 25110782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).