1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol

C10H15NO — CID 142459601

IUPAC1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol
SMILESOCC1CC2=C(C=CCC2)CN1
InChIInChI=1S/C10H15NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h2,4,10-12H,1,3,5-7H2
InChIKeyVDUORGWETCWYOA-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.99
Rot. Bonds1

About 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol

1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol (PubChem CID 142459601) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol.

Molecular Properties

Compound Name1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol
PubChem CID142459601
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol
SMILESOCC1CC2=C(C=CCC2)CN1
InChIInChI=1S/C10H15NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h2,4,10-12H,1,3,5-7H2
InChIKeyVDUORGWETCWYOA-UHFFFAOYSA-N
XLogP0.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol?
The IUPAC name of 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol (CID 142459601) is 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol.
What is the SMILES notation for 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol?
The canonical SMILES for 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol is OCC1CC2=C(C=CCC2)CN1.
What is the InChIKey of 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol?
The InChIKey is VDUORGWETCWYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h2,4,10-12H,1,3,5-7H2.
What are the key properties of 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol?
1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol has a molecular weight of 165.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexahydroisoquinolin-3-ylmethanol is sourced from PubChem (CID 142459601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).