7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride

C12H19Cl2N3 — CID 22291216

IUPAC7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
SMILESCl.Cl.c1cncc(N2CCC3(CCCN3)C2)c1
InChIInChI=1S/C12H17N3.2ClH/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12;;/h1,3,6,9,14H,2,4-5,7-8,10H2;2*1H
InChIKeyUFRFTXJBECHQSJ-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.26
Rot. Bonds1

About 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride

7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride (PubChem CID 22291216) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride.

Molecular Properties

Compound Name7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
PubChem CID22291216
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
SMILESCl.Cl.c1cncc(N2CCC3(CCCN3)C2)c1
InChIInChI=1S/C12H17N3.2ClH/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12;;/h1,3,6,9,14H,2,4-5,7-8,10H2;2*1H
InChIKeyUFRFTXJBECHQSJ-UHFFFAOYSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride?
The IUPAC name of 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride (CID 22291216) is 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride.
What is the SMILES notation for 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride?
The canonical SMILES for 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride is Cl.Cl.c1cncc(N2CCC3(CCCN3)C2)c1.
What is the InChIKey of 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride?
The InChIKey is UFRFTXJBECHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.2ClH/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12;;/h1,3,6,9,14H,2,4-5,7-8,10H2;2*1H.
What are the key properties of 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride?
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride is sourced from PubChem (CID 22291216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).