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

C25H25ClN2O2 — CID 57396864

IUPACethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C25H25ClN2O2/c1-2-30-25(29)23-21(18-11-13-20(26)14-12-18)17-22(19-9-5-3-6-10-19)27-24(23)28-15-7-4-8-16-28/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3
InChIKeyGCCHQEJERXICON-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.24
Rot. Bonds5

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

ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate (PubChem CID 57396864) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
PubChem CID57396864
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Nameethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C25H25ClN2O2/c1-2-30-25(29)23-21(18-11-13-20(26)14-12-18)17-22(19-9-5-3-6-10-19)27-24(23)28-15-7-4-8-16-28/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3
InChIKeyGCCHQEJERXICON-UHFFFAOYSA-N
XLogP6.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate (CID 57396864) is ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CCCCC1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
The InChIKey is GCCHQEJERXICON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-2-30-25(29)23-21(18-11-13-20(26)14-12-18)17-22(19-9-5-3-6-10-19)27-24(23)28-15-7-4-8-16-28/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3.
What are the key properties of ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate?
ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate has a molecular weight of 420.94 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 57396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).