4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride

C17H20Cl3N3 — CID 69316453

IUPAC4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2ccc(N3CCN4CCC3C4)nc2)cc1
InChIInChI=1S/C17H18ClN3.2ClH/c18-15-4-1-13(2-5-15)14-3-6-17(19-11-14)21-10-9-20-8-7-16(21)12-20;;/h1-6,11,16H,7-10,12H2;2*1H
InChIKeyOPLDCOPBXPVOLN-UHFFFAOYSA-N
MW372.73 g/mol
LogP4.14
Rot. Bonds2

About 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride

4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 69316453) has the molecular formula C17H20Cl3N3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID69316453
Molecular FormulaC17H20Cl3N3
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC Name4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2ccc(N3CCN4CCC3C4)nc2)cc1
InChIInChI=1S/C17H18ClN3.2ClH/c18-15-4-1-13(2-5-15)14-3-6-17(19-11-14)21-10-9-20-8-7-16(21)12-20;;/h1-6,11,16H,7-10,12H2;2*1H
InChIKeyOPLDCOPBXPVOLN-UHFFFAOYSA-N
XLogP4.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
CID 131029065
6-chloro-2-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 69369593
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 10040739
N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
CID 68567840
4-[5-(trifluoromethyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320217
(3aS,7aR)-1-(5-chloro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 169123246
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
5-(6-chloro-3-pyridinyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,2,4-oxadiazole
CID 10214985
4-[5-(3-methoxyphenyl)-3-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
CID 69320293
(4aR,8aR)-1-(5-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727780
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.1]nonane
CID 69314982

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride (CID 69316453) is 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride is Cl.Cl.Clc1ccc(-c2ccc(N3CCN4CCC3C4)nc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is OPLDCOPBXPVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3.2ClH/c18-15-4-1-13(2-5-15)14-3-6-17(19-11-14)21-10-9-20-8-7-16(21)12-20;;/h1-6,11,16H,7-10,12H2;2*1H.
What are the key properties of 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride?
4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 372.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-2-pyridinyl]-1,4-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 69316453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).