2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol

C11H21NO — CID 75576493

IUPAC2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
SMILESOCCC1CCCC2CCCCN12
InChIInChI=1S/C11H21NO/c13-9-7-11-6-3-5-10-4-1-2-8-12(10)11/h10-11,13H,1-9H2
InChIKeyXYUXBDODVDXJLM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.78
Rot. Bonds2

About 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol (PubChem CID 75576493) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
PubChem CID75576493
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
SMILESOCCC1CCCC2CCCCN12
InChIInChI=1S/C11H21NO/c13-9-7-11-6-3-5-10-4-1-2-8-12(10)11/h10-11,13H,1-9H2
InChIKeyXYUXBDODVDXJLM-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
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CID 103983135
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 84755569
2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
CID 28849794
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511
2-[1-(1-phenylsulfanylpiperidin-4-yl)piperidin-2-yl]ethanol
CID 144807438
3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]propanoic acid
CID 84755515
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122
2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 28733174

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol?
The IUPAC name of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol (CID 75576493) is 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol.
What is the SMILES notation for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol?
The canonical SMILES for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol is OCCC1CCCC2CCCCN12.
What is the InChIKey of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol?
The InChIKey is XYUXBDODVDXJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-9-7-11-6-3-5-10-4-1-2-8-12(10)11/h10-11,13H,1-9H2.
What are the key properties of 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol?
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol is sourced from PubChem (CID 75576493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).