2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine

C35H41N3O — CID 21352306

IUPAC2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine
SMILESCc1cc(-c2cc(COC3CCN(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)CC3)ccn2)cc(C)c1C
InChIInChI=1S/C35H41N3O/c1-23-15-31(16-24(2)27(23)5)34-19-29(7-11-36-34)21-38-13-9-33(10-14-38)39-22-30-8-12-37-35(20-30)32-17-25(3)28(6)26(4)18-32/h7-8,11-12,15-20,33H,9-10,13-14,21-22H2,1-6H3
InChIKeyQABOUEVUOLUZCH-UHFFFAOYSA-N
MW519.73 g/mol
LogP7.84
Rot. Bonds7

About 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine

2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine (PubChem CID 21352306) has the molecular formula C35H41N3O and a molecular weight of 519.73 g/mol. Its IUPAC name is 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine
PubChem CID21352306
Molecular FormulaC35H41N3O
Molecular Weight519.73 g/mol
Exact Mass519.32
IUPAC Name2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine
SMILESCc1cc(-c2cc(COC3CCN(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)CC3)ccn2)cc(C)c1C
InChIInChI=1S/C35H41N3O/c1-23-15-31(16-24(2)27(23)5)34-19-29(7-11-36-34)21-38-13-9-33(10-14-38)39-22-30-8-12-37-35(20-30)32-17-25(3)28(6)26(4)18-32/h7-8,11-12,15-20,33H,9-10,13-14,21-22H2,1-6H3
InChIKeyQABOUEVUOLUZCH-UHFFFAOYSA-N
XLogP7.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine (CID 21352306) is 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine is Cc1cc(-c2cc(COC3CCN(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)CC3)ccn2)cc(C)c1C.
What is the InChIKey of 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine?
The InChIKey is QABOUEVUOLUZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O/c1-23-15-31(16-24(2)27(23)5)34-19-29(7-11-36-34)21-38-13-9-33(10-14-38)39-22-30-8-12-37-35(20-30)32-17-25(3)28(6)26(4)18-32/h7-8,11-12,15-20,33H,9-10,13-14,21-22H2,1-6H3.
What are the key properties of 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine?
2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine has a molecular weight of 519.73 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylphenyl)-4-[[4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methoxy]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 21352306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).