3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane

C12H17N3 — CID 115314620

IUPAC3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESc1cc(N2CCC3CCC(C2)N3)ccn1
InChIInChI=1S/C12H17N3/c1-2-11-9-15(8-5-10(1)14-11)12-3-6-13-7-4-12/h3-4,6-7,10-11,14H,1-2,5,8-9H2
InChIKeyKESGPHYXCUTJIZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.41
Rot. Bonds1

About 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane

3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115314620) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115314620
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESc1cc(N2CCC3CCC(C2)N3)ccn1
InChIInChI=1S/C12H17N3/c1-2-11-9-15(8-5-10(1)14-11)12-3-6-13-7-4-12/h3-4,6-7,10-11,14H,1-2,5,8-9H2
InChIKeyKESGPHYXCUTJIZ-UHFFFAOYSA-N
XLogP1.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane (CID 115314620) is 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane is c1cc(N2CCC3CCC(C2)N3)ccn1.
What is the InChIKey of 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is KESGPHYXCUTJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-11-9-15(8-5-10(1)14-11)12-3-6-13-7-4-12/h3-4,6-7,10-11,14H,1-2,5,8-9H2.
What are the key properties of 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane?
3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 203.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115314620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).