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

C15H22ClNO — CID 16719343

IUPAC(1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride
SMILESC1CCN2CC[C@H]([C@@H]([C@H]2C1)C3=CC=CC=C3)O.Cl
InChIInChI=1S/C15H21NO.ClH/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12;/h1-3,6-7,13-15,17H,4-5,8-11H2;1H/t13-,14-,15-;/m1./s1
InChIKeyZYCQOOTTYWMTMZ-RFMLDLTKSA-N
MW267.79 g/mol
LogP—
Rot. Bonds1

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

(1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride (PubChem CID 16719343) has the molecular formula C15H22ClNO and a molecular weight of 267.79 g/mol. Its IUPAC name is (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride
PubChem CID16719343
Molecular FormulaC15H22ClNO
Molecular Weight267.79 g/mol
Exact Mass267.14
IUPAC Name(1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride
SMILESC1CCN2CC[C@H]([C@@H]([C@H]2C1)C3=CC=CC=C3)O.Cl
InChIInChI=1S/C15H21NO.ClH/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12;/h1-3,6-7,13-15,17H,4-5,8-11H2;1H/t13-,14-,15-;/m1./s1
InChIKeyZYCQOOTTYWMTMZ-RFMLDLTKSA-N
XLogP—
TPSA23.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride?
The IUPAC name of (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride (CID 16719343) is (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride.
What is the SMILES notation for (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride?
The canonical SMILES for (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride is C1CCN2CC[C@H]([C@@H]([C@H]2C1)C3=CC=CC=C3)O.Cl.
What is the InChIKey of (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride?
The InChIKey is ZYCQOOTTYWMTMZ-RFMLDLTKSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c17-14-9-11-16-10-5-4-8-13(16)15(14)12-6-2-1-3-7-12;/h1-3,6-7,13-15,17H,4-5,8-11H2;1H/t13-,14-,15-;/m1./s1.
What are the key properties of (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride?
(1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride has a molecular weight of 267.79 g/mol, XLogP of not available, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9aR)-1-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol;hydrochloride is sourced from PubChem (CID 16719343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).