2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

C24H27N3O — CID 95809167

IUPAC2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESCOc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1
InChIInChI=1S/C24H27N3O/c1-28-23-8-2-5-20(16-23)15-22-7-3-9-24(26-22)21-6-4-14-27(18-21)17-19-10-12-25-13-11-19/h2-3,5,7-13,16,21H,4,6,14-15,17-18H2,1H3/t21-/m1/s1
InChIKeyLYONUDKCBQWRCL-OAQYLSRUSA-N
MW373.50 g/mol
LogP4.46
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 95809167) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
PubChem CID95809167
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESCOc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1
InChIInChI=1S/C24H27N3O/c1-28-23-8-2-5-20(16-23)15-22-7-3-9-24(26-22)21-6-4-14-27(18-21)17-19-10-12-25-13-11-19/h2-3,5,7-13,16,21H,4,6,14-15,17-18H2,1H3/t21-/m1/s1
InChIKeyLYONUDKCBQWRCL-OAQYLSRUSA-N
XLogP4.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine with MolForge

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Related Compounds

2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249365
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 95809284

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (CID 95809167) is 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is LYONUDKCBQWRCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O/c1-28-23-8-2-5-20(16-23)15-22-7-3-9-24(26-22)21-6-4-14-27(18-21)17-19-10-12-25-13-11-19/h2-3,5,7-13,16,21H,4,6,14-15,17-18H2,1H3/t21-/m1/s1.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 373.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95809167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).