4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C20H22N2O2 — CID 167787720

IUPAC4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(Cc4ccccc4Oc4cccnc4)C1C3C2
InChIInChI=1S/C20H22N2O2/c23-20-14-8-15-12-22(19(20)17(15)9-14)11-13-4-1-2-6-18(13)24-16-5-3-7-21-10-16/h1-7,10,14-15,17,19-20,23H,8-9,11-12H2
InChIKeyFFJYTNRFCGDGKX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.08
Rot. Bonds4

About 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 167787720) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID167787720
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(Cc4ccccc4Oc4cccnc4)C1C3C2
InChIInChI=1S/C20H22N2O2/c23-20-14-8-15-12-22(19(20)17(15)9-14)11-13-4-1-2-6-18(13)24-16-5-3-7-21-10-16/h1-7,10,14-15,17,19-20,23H,8-9,11-12H2
InChIKeyFFJYTNRFCGDGKX-UHFFFAOYSA-N
XLogP3.08
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 167787720) is 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CN(Cc4ccccc4Oc4cccnc4)C1C3C2.
What is the InChIKey of 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is FFJYTNRFCGDGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20-14-8-15-12-22(19(20)17(15)9-14)11-13-4-1-2-6-18(13)24-16-5-3-7-21-10-16/h1-7,10,14-15,17,19-20,23H,8-9,11-12H2.
What are the key properties of 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-3-yloxyphenyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 167787720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).