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

C16H24ClNO — CID 16719459

IUPAC(1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
SMILESCO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13;/h2-4,7-8,14-16H,5-6,9-12H2,1H3;1H/t14-,15+,16-;/m1./s1
InChIKeyWDSMSCHEQIXUJD-GBEOHXTHSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds2

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

(1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride (PubChem CID 16719459) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride.

Molecular Properties

Compound Name(1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
PubChem CID16719459
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride
SMILESCO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13;/h2-4,7-8,14-16H,5-6,9-12H2,1H3;1H/t14-,15+,16-;/m1./s1
InChIKeyWDSMSCHEQIXUJD-GBEOHXTHSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The IUPAC name of (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride (CID 16719459) is (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride.
What is the SMILES notation for (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The canonical SMILES for (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride is CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl.
What is the InChIKey of (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
The InChIKey is WDSMSCHEQIXUJD-GBEOHXTHSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-18-15-10-12-17-11-6-5-9-14(17)16(15)13-7-3-2-4-8-13;/h2-4,7-8,14-16H,5-6,9-12H2,1H3;1H/t14-,15+,16-;/m1./s1.
What are the key properties of (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride?
(1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9aR)-2-methoxy-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride is sourced from PubChem (CID 16719459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).