[(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol

C10H17NO — CID 6430108

IUPAC[(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol
SMILESOC[C@H]1CC=CN2CCCCC12
InChIInChI=1S/C10H17NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h3,7,9-10,12H,1-2,4-6,8H2/t9-,10?/m1/s1
InChIKeyWRHKBJSHZOYGRI-YHMJZVADSA-N
MW167.25 g/mol
LogP1.37
Rot. Bonds1

About [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol

[(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol (PubChem CID 6430108) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol
PubChem CID6430108
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol
SMILESOC[C@H]1CC=CN2CCCCC12
InChIInChI=1S/C10H17NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h3,7,9-10,12H,1-2,4-6,8H2/t9-,10?/m1/s1
InChIKeyWRHKBJSHZOYGRI-YHMJZVADSA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol?
The IUPAC name of [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol (CID 6430108) is [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol.
What is the SMILES notation for [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol?
The canonical SMILES for [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol is OC[C@H]1CC=CN2CCCCC12.
What is the InChIKey of [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol?
The InChIKey is WRHKBJSHZOYGRI-YHMJZVADSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h3,7,9-10,12H,1-2,4-6,8H2/t9-,10?/m1/s1.
What are the key properties of [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol?
[(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-1-yl]methanol is sourced from PubChem (CID 6430108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).