2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine

C21H22N4O — CID 154781851

IUPAC2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
SMILESCc1cnccc1OC1CCN(c2ccc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C21H22N4O/c1-16-14-23-11-6-20(16)26-19-7-12-25(13-8-19)21-3-2-18(15-24-21)17-4-9-22-10-5-17/h2-6,9-11,14-15,19H,7-8,12-13H2,1H3
InChIKeyFWQFIVNXIPZFBS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine

2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine (PubChem CID 154781851) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
PubChem CID154781851
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
SMILESCc1cnccc1OC1CCN(c2ccc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C21H22N4O/c1-16-14-23-11-6-20(16)26-19-7-12-25(13-8-19)21-3-2-18(15-24-21)17-4-9-22-10-5-17/h2-6,9-11,14-15,19H,7-8,12-13H2,1H3
InChIKeyFWQFIVNXIPZFBS-UHFFFAOYSA-N
XLogP3.89
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine?
The IUPAC name of 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine (CID 154781851) is 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine.
What is the SMILES notation for 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine?
The canonical SMILES for 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine is Cc1cnccc1OC1CCN(c2ccc(-c3ccncc3)cn2)CC1.
What is the InChIKey of 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine?
The InChIKey is FWQFIVNXIPZFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-14-23-11-6-20(16)26-19-7-12-25(13-8-19)21-3-2-18(15-24-21)17-4-9-22-10-5-17/h2-6,9-11,14-15,19H,7-8,12-13H2,1H3.
What are the key properties of 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine?
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine has a molecular weight of 346.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine is sourced from PubChem (CID 154781851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).