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

C10H19NO2 — CID 78409508

IUPAC1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol
SMILESOCC1CCC(O)N2CCCCC12
InChIInChI=1S/C10H19NO2/c12-7-8-4-5-10(13)11-6-2-1-3-9(8)11/h8-10,12-13H,1-7H2
InChIKeyXJGGJDSGTDKLPJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.56
Rot. Bonds1

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

1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol (PubChem CID 78409508) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol
PubChem CID78409508
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol
SMILESOCC1CCC(O)N2CCCCC12
InChIInChI=1S/C10H19NO2/c12-7-8-4-5-10(13)11-6-2-1-3-9(8)11/h8-10,12-13H,1-7H2
InChIKeyXJGGJDSGTDKLPJ-UHFFFAOYSA-N
XLogP0.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
[2-(azepan-1-yl)cyclopentyl]methanol
CID 106364698
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
[1-[2-(aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
(9R,9aR)-9-(hydroxymethyl)-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 130756851
3-amino-1-[2-(hydroxymethyl)cyclohexyl]piperidin-2-one
CID 106367861
(1S,8aS)-1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10888327
2-[2-(hydroxymethyl)cyclopentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 106364697
1-hydroxy-2-(1-hydroxypiperidin-2-yl)piperidine
CID 4961560
2-[2-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106364689

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol?
The IUPAC name of 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol (CID 78409508) is 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol.
What is the SMILES notation for 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol?
The canonical SMILES for 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol is OCC1CCC(O)N2CCCCC12.
What is the InChIKey of 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol?
The InChIKey is XJGGJDSGTDKLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-7-8-4-5-10(13)11-6-2-1-3-9(8)11/h8-10,12-13H,1-7H2.
What are the key properties of 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol?
1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol has a molecular weight of 185.27 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ol is sourced from PubChem (CID 78409508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).