5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane

C18H20N2 — CID 12069069

IUPAC5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
SMILESc1ccc(-c2ccc(C34CCCN(CC3)C4)cn2)cc1
InChIInChI=1S/C18H20N2/c1-2-5-15(6-3-1)17-8-7-16(13-19-17)18-9-4-11-20(14-18)12-10-18/h1-3,5-8,13H,4,9-12,14H2
InChIKeyWHPBAPXBLQFCIT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds2

About 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane

5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane (PubChem CID 12069069) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
PubChem CID12069069
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
SMILESc1ccc(-c2ccc(C34CCCN(CC3)C4)cn2)cc1
InChIInChI=1S/C18H20N2/c1-2-5-15(6-3-1)17-8-7-16(13-19-17)18-9-4-11-20(14-18)12-10-18/h1-3,5-8,13H,4,9-12,14H2
InChIKeyWHPBAPXBLQFCIT-UHFFFAOYSA-N
XLogP3.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane (CID 12069069) is 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane is c1ccc(-c2ccc(C34CCCN(CC3)C4)cn2)cc1.
What is the InChIKey of 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
The InChIKey is WHPBAPXBLQFCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-5-15(6-3-1)17-8-7-16(13-19-17)18-9-4-11-20(14-18)12-10-18/h1-3,5-8,13H,4,9-12,14H2.
What are the key properties of 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane?
5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane has a molecular weight of 264.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 12069069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).