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

C15H21Cl2N — CID 16720955

IUPAC(1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
SMILESCl.Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C15H20ClN.ClH/c16-14-8-2-1-6-12(14)13-7-5-11-17-10-4-3-9-15(13)17;/h1-2,6,8,13,15H,3-5,7,9-11H2;1H/t13-,15-;/m1./s1
InChIKeyGJFINOOLQPMROU-SWYZXDRTSA-N
MW286.25 g/mol
LogP4.49
Rot. Bonds1

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

(1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride (PubChem CID 16720955) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride.

Molecular Properties

Compound Name(1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
PubChem CID16720955
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name(1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
SMILESCl.Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C15H20ClN.ClH/c16-14-8-2-1-6-12(14)13-7-5-11-17-10-4-3-9-15(13)17;/h1-2,6,8,13,15H,3-5,7,9-11H2;1H/t13-,15-;/m1./s1
InChIKeyGJFINOOLQPMROU-SWYZXDRTSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The IUPAC name of (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride (CID 16720955) is (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride.
What is the SMILES notation for (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The canonical SMILES for (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride is Cl.Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The InChIKey is GJFINOOLQPMROU-SWYZXDRTSA-N. The full InChI is InChI=1S/C15H20ClN.ClH/c16-14-8-2-1-6-12(14)13-7-5-11-17-10-4-3-9-15(13)17;/h1-2,6,8,13,15H,3-5,7,9-11H2;1H/t13-,15-;/m1./s1.
What are the key properties of (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
(1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride has a molecular weight of 286.25 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aR)-1-(2-chlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride is sourced from PubChem (CID 16720955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).