tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate

C43H42N2O8 — CID 15048130

IUPACtetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccccc2)N(C2CC(c3ccccc3)N(C)C(c3ccccc3)C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C43H42N2O8/c1-44-31(27-18-10-6-11-19-27)26-32(33(28-20-12-7-13-21-28)37(44)29-22-14-8-15-23-29)45-38(30-24-16-9-17-25-30)35(41(47)51-3)34(40(46)50-2)36(42(48)52-4)39(45)43(49)53-5/h6-25,31-33,37-38H,26H2,1-5H3
InChIKeyFEHFAUKVIFZMIV-UHFFFAOYSA-N
MW714.82 g/mol
LogP6.26
Rot. Bonds9

About tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate

tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate (PubChem CID 15048130) has the molecular formula C43H42N2O8 and a molecular weight of 714.82 g/mol. Its IUPAC name is tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate
PubChem CID15048130
Molecular FormulaC43H42N2O8
Molecular Weight714.82 g/mol
Exact Mass714.29
IUPAC Nametetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccccc2)N(C2CC(c3ccccc3)N(C)C(c3ccccc3)C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C43H42N2O8/c1-44-31(27-18-10-6-11-19-27)26-32(33(28-20-12-7-13-21-28)37(44)29-22-14-8-15-23-29)45-38(30-24-16-9-17-25-30)35(41(47)51-3)34(40(46)50-2)36(42(48)52-4)39(45)43(49)53-5/h6-25,31-33,37-38H,26H2,1-5H3
InChIKeyFEHFAUKVIFZMIV-UHFFFAOYSA-N
XLogP6.26
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.82
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate?
The IUPAC name of tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate (CID 15048130) is tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate is COC(=O)C1=C(C(=O)OC)C(c2ccccc2)N(C2CC(c3ccccc3)N(C)C(c3ccccc3)C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate?
The InChIKey is FEHFAUKVIFZMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N2O8/c1-44-31(27-18-10-6-11-19-27)26-32(33(28-20-12-7-13-21-28)37(44)29-22-14-8-15-23-29)45-38(30-24-16-9-17-25-30)35(41(47)51-3)34(40(46)50-2)36(42(48)52-4)39(45)43(49)53-5/h6-25,31-33,37-38H,26H2,1-5H3.
What are the key properties of tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate?
tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate has a molecular weight of 714.82 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-(1-methyl-2,3,6-triphenylpiperidin-4-yl)-2-phenyl-2H-pyridine-3,4,5,6-tetracarboxylate is sourced from PubChem (CID 15048130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).