3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride

C12H18Cl2N2O — CID 77226760

IUPAC3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
SMILESCl.Cl.c1cc(OC2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C12H16N2O.2ClH/c1-2-10-8-12(7-9(1)14-10)15-11-3-5-13-6-4-11;;/h3-6,9-10,12,14H,1-2,7-8H2;2*1H
InChIKeyNDRKBZQCNOXYLM-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.59
Rot. Bonds2

About 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride

3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 77226760) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
PubChem CID77226760
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
SMILESCl.Cl.c1cc(OC2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C12H16N2O.2ClH/c1-2-10-8-12(7-9(1)14-10)15-11-3-5-13-6-4-11;;/h3-6,9-10,12,14H,1-2,7-8H2;2*1H
InChIKeyNDRKBZQCNOXYLM-UHFFFAOYSA-N
XLogP2.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride (CID 77226760) is 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride is Cl.Cl.c1cc(OC2CC3CCC(C2)N3)ccn1.
What is the InChIKey of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is NDRKBZQCNOXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.2ClH/c1-2-10-8-12(7-9(1)14-10)15-11-3-5-13-6-4-11;;/h3-6,9-10,12,14H,1-2,7-8H2;2*1H.
What are the key properties of 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride?
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 77226760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).