(1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride

C17H26ClNO — CID 45265873

IUPAC(1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
SMILESCC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-2-17(19)11-13-18-12-7-6-10-15(18)16(17)14-8-4-3-5-9-14;/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3;1H/t15-,16-,17-;/m1./s1
InChIKeyLRCULZAWINWEES-UATJXVQHSA-N
MW295.85 g/mol
LogP3.59
Rot. Bonds2

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

(1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride (PubChem CID 45265873) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
PubChem CID45265873
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name(1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
SMILESCC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-2-17(19)11-13-18-12-7-6-10-15(18)16(17)14-8-4-3-5-9-14;/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3;1H/t15-,16-,17-;/m1./s1
InChIKeyLRCULZAWINWEES-UATJXVQHSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride?
The IUPAC name of (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride (CID 45265873) is (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride.
What is the SMILES notation for (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride?
The canonical SMILES for (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride is CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1.Cl.
What is the InChIKey of (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride?
The InChIKey is LRCULZAWINWEES-UATJXVQHSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-2-17(19)11-13-18-12-7-6-10-15(18)16(17)14-8-4-3-5-9-14;/h3-5,8-9,15-16,19H,2,6-7,10-13H2,1H3;1H/t15-,16-,17-;/m1./s1.
What are the key properties of (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride?
(1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9aR)-2-ethyl-1-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride is sourced from PubChem (CID 45265873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).