(1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride

C15H20Cl3N — CID 16719871

IUPAC(1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
SMILESCl.Clc1ccc([C@H]2CCCN3CCCC[C@H]23)cc1Cl
InChIInChI=1S/C15H19Cl2N.ClH/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18;/h6-7,10,12,15H,1-5,8-9H2;1H/t12-,15-;/m1./s1
InChIKeyVCVXXEBJSGAQKK-XRZFDKQNSA-N
MW320.69 g/mol
LogP5.15
Rot. Bonds1

About (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride

(1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride (PubChem CID 16719871) has the molecular formula C15H20Cl3N and a molecular weight of 320.69 g/mol. Its IUPAC name is (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride.

Molecular Properties

Compound Name(1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
PubChem CID16719871
Molecular FormulaC15H20Cl3N
Molecular Weight320.69 g/mol
Exact Mass319.07
IUPAC Name(1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
SMILESCl.Clc1ccc([C@H]2CCCN3CCCC[C@H]23)cc1Cl
InChIInChI=1S/C15H19Cl2N.ClH/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18;/h6-7,10,12,15H,1-5,8-9H2;1H/t12-,15-;/m1./s1
InChIKeyVCVXXEBJSGAQKK-XRZFDKQNSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The IUPAC name of (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride (CID 16719871) is (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride.
What is the SMILES notation for (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The canonical SMILES for (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride is Cl.Clc1ccc([C@H]2CCCN3CCCC[C@H]23)cc1Cl.
What is the InChIKey of (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The InChIKey is VCVXXEBJSGAQKK-XRZFDKQNSA-N. The full InChI is InChI=1S/C15H19Cl2N.ClH/c16-13-7-6-11(10-14(13)17)12-4-3-9-18-8-2-1-5-15(12)18;/h6-7,10,12,15H,1-5,8-9H2;1H/t12-,15-;/m1./s1.
What are the key properties of (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
(1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride has a molecular weight of 320.69 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride is sourced from PubChem (CID 16719871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).