2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane

C14H18N2O2 — CID 112747585

IUPAC2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane
SMILESCOc1cc(OC2C3CC4CNC2C4C3)ccn1
InChIInChI=1S/C14H18N2O2/c1-17-12-6-10(2-3-15-12)18-14-8-4-9-7-16-13(14)11(9)5-8/h2-3,6,8-9,11,13-14,16H,4-5,7H2,1H3
InChIKeyRRUJFSKXBOTMQI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.47
Rot. Bonds3

About 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane

2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane (PubChem CID 112747585) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane
PubChem CID112747585
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane
SMILESCOc1cc(OC2C3CC4CNC2C4C3)ccn1
InChIInChI=1S/C14H18N2O2/c1-17-12-6-10(2-3-15-12)18-14-8-4-9-7-16-13(14)11(9)5-8/h2-3,6,8-9,11,13-14,16H,4-5,7H2,1H3
InChIKeyRRUJFSKXBOTMQI-UHFFFAOYSA-N
XLogP1.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane (CID 112747585) is 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane is COc1cc(OC2C3CC4CNC2C4C3)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane?
The InChIKey is RRUJFSKXBOTMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-12-6-10(2-3-15-12)18-14-8-4-9-7-16-13(14)11(9)5-8/h2-3,6,8-9,11,13-14,16H,4-5,7H2,1H3.
What are the key properties of 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane?
2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane has a molecular weight of 246.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)oxy]-4-azatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 112747585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).