8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol

C23H24N2O — CID 171956091

IUPAC8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cncc3ccccc23)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H24N2O/c26-23(22-15-24-14-18-8-4-5-9-21(18)22)12-19-10-11-20(13-23)25(19)16-17-6-2-1-3-7-17/h1-9,14-15,19-20,26H,10-13,16H2
InChIKeyJBKVBKIEJPILEU-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.25
Rot. Bonds3

About 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171956091) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171956091
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cncc3ccccc23)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H24N2O/c26-23(22-15-24-14-18-8-4-5-9-21(18)22)12-19-10-11-20(13-23)25(19)16-17-6-2-1-3-7-17/h1-9,14-15,19-20,26H,10-13,16H2
InChIKeyJBKVBKIEJPILEU-UHFFFAOYSA-N
XLogP4.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
benzyl 3-hydroxy-3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956101
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
tert-butyl 3-hydroxy-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956088
9H-fluoren-9-ylmethyl 3-hydroxy-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956089
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956096
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 171956091) is 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cncc3ccccc23)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JBKVBKIEJPILEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(22-15-24-14-18-8-4-5-9-21(18)22)12-19-10-11-20(13-23)25(19)16-17-6-2-1-3-7-17/h1-9,14-15,19-20,26H,10-13,16H2.
What are the key properties of 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 344.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171956091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).