(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane

C12H16N2 — CID 10583787

IUPAC(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
SMILESc1cncc([C@]23CCC[C@H](CC2)N3)c1
InChIInChI=1S/C12H16N2/c1-4-11-5-7-12(6-1,14-11)10-3-2-8-13-9-10/h2-3,8-9,11,14H,1,4-7H2/t11-,12+/m1/s1
InChIKeyUMAFAWZJISMFTK-NEPJUHHUSA-N
MW188.27 g/mol
LogP2.21
Rot. Bonds1

About (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane

(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane (PubChem CID 10583787) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
PubChem CID10583787
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
SMILESc1cncc([C@]23CCC[C@H](CC2)N3)c1
InChIInChI=1S/C12H16N2/c1-4-11-5-7-12(6-1,14-11)10-3-2-8-13-9-10/h2-3,8-9,11,14H,1,4-7H2/t11-,12+/m1/s1
InChIKeyUMAFAWZJISMFTK-NEPJUHHUSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10679181
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
3-(1-pyrrolidin-2-ylcyclohexyl)pyridine
CID 83911588
3-(1-pyrrolidin-3-ylcyclopentyl)pyridine
CID 83910049
3-(1-fluorocyclobutyl)pyridine
CID 158766896
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
3-fluoro-3-pyridin-3-ylcyclopentan-1-amine
CID 112565744
3-pyridin-3-ylbicyclo[3.1.0]hexan-3-amine
CID 82411366
[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide
CID 87288239
3-(2-phenylpiperidin-2-yl)pyridine
CID 173052261

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane (CID 10583787) is (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane is c1cncc([C@]23CCC[C@H](CC2)N3)c1.
What is the InChIKey of (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is UMAFAWZJISMFTK-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11-5-7-12(6-1,14-11)10-3-2-8-13-9-10/h2-3,8-9,11,14H,1,4-7H2/t11-,12+/m1/s1.
What are the key properties of (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane?
(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 188.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10583787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).