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

C21H27N3O2 — CID 58548108

IUPAC2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
SMILESCc1cccnc1N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-4-2-10-22-20(16)24-12-6-18(7-13-24)26-21-19(5-3-11-23-21)17-8-14-25-15-9-17/h2-5,10-11,17-18H,6-9,12-15H2,1H3
InChIKeyJZTZPJHNKQBURI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.73
Rot. Bonds4

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

2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine (PubChem CID 58548108) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
PubChem CID58548108
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
SMILESCc1cccnc1N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-4-2-10-22-20(16)24-12-6-18(7-13-24)26-21-19(5-3-11-23-21)17-8-14-25-15-9-17/h2-5,10-11,17-18H,6-9,12-15H2,1H3
InChIKeyJZTZPJHNKQBURI-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-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The IUPAC name of 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine (CID 58548108) is 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine.
What is the SMILES notation for 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The canonical SMILES for 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine is Cc1cccnc1N1CCC(Oc2ncccc2C2CCOCC2)CC1.
What is the InChIKey of 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The InChIKey is JZTZPJHNKQBURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-2-10-22-20(16)24-12-6-18(7-13-24)26-21-19(5-3-11-23-21)17-8-14-25-15-9-17/h2-5,10-11,17-18H,6-9,12-15H2,1H3.
What are the key properties of 2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-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-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine is sourced from PubChem (CID 58548108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).