1,2,3,4-tetrahydroisoquinolin-4-ylmethanol

C10H13NO — CID 19261463

IUPAC1,2,3,4-tetrahydroisoquinolin-4-ylmethanol
SMILESOCC1CNCc2ccccc21
InChIInChI=1S/C10H13NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-4,9,11-12H,5-7H2
InChIKeyYQDVXSZMLVXACO-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.87
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol

1,2,3,4-tetrahydroisoquinolin-4-ylmethanol (PubChem CID 19261463) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-4-ylmethanol
PubChem CID19261463
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1,2,3,4-tetrahydroisoquinolin-4-ylmethanol
SMILESOCC1CNCc2ccccc21
InChIInChI=1S/C10H13NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-4,9,11-12H,5-7H2
InChIKeyYQDVXSZMLVXACO-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 723422
(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol
CID 3752277
[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 776757
Threo-ritalinol hydrochloride
CID 10726933
1,2,3,4-Tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
CID 16719764
(1,2,3,4-Tetrahydroisoquinolin-7-yl)methanol
CID 10610870
2-Phenylpiperidin-4-ol
CID 23042273
rac-((3R,4R)-4-phenylpiperidin-3-yl)methanol
CID 59978001
1-Phenyldecahydroisoquinolin-4a-ol
CID 2831033
1,2,3,4-Tetrahydroisoquinolin-4-ol
CID 11744792

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol (CID 19261463) is 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol is OCC1CNCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol?
The InChIKey is YQDVXSZMLVXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-4,9,11-12H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-4-ylmethanol?
1,2,3,4-tetrahydroisoquinolin-4-ylmethanol has a molecular weight of 163.22 g/mol, XLogP of 0.87, 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-tetrahydroisoquinolin-4-ylmethanol is sourced from PubChem (CID 19261463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).