2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine

C21H27N3O2 — CID 54670306

IUPAC2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
SMILESCc1cccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)n1
InChIInChI=1S/C21H27N3O2/c1-16-4-2-6-20(23-16)24-12-7-18(8-13-24)26-21-19(5-3-11-22-21)17-9-14-25-15-10-17/h2-6,11,17-18H,7-10,12-15H2,1H3
InChIKeyKBJKCHFTOFLWOH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine

2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine (PubChem CID 54670306) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
PubChem CID54670306
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
SMILESCc1cccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)n1
InChIInChI=1S/C21H27N3O2/c1-16-4-2-6-20(23-16)24-12-7-18(8-13-24)26-21-19(5-3-11-22-21)17-9-14-25-15-10-17/h2-6,11,17-18H,7-10,12-15H2,1H3
InChIKeyKBJKCHFTOFLWOH-UHFFFAOYSA-N
XLogP3.73
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The IUPAC name of 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine (CID 54670306) is 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The canonical SMILES for 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine is Cc1cccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The InChIKey is KBJKCHFTOFLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-2-6-20(23-16)24-12-7-18(8-13-24)26-21-19(5-3-11-22-21)17-9-14-25-15-10-17/h2-6,11,17-18H,7-10,12-15H2,1H3.
What are the key properties of 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine has a molecular weight of 353.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine is sourced from PubChem (CID 54670306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).