2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile

C22H24N2O2 — CID 171953892

IUPAC2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(C2(O)CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H24N2O2/c1-26-20-10-7-17(14-23)21(11-20)22(25)12-18-8-9-19(13-22)24(18)15-16-5-3-2-4-6-16/h2-7,10-11,18-19,25H,8-9,12-13,15H2,1H3
InChIKeyWOEZORUVOHHUBD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.58
Rot. Bonds4

About 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile

2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile (PubChem CID 171953892) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile
PubChem CID171953892
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(C2(O)CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H24N2O2/c1-26-20-10-7-17(14-23)21(11-20)22(25)12-18-8-9-19(13-22)24(18)15-16-5-3-2-4-6-16/h2-7,10-11,18-19,25H,8-9,12-13,15H2,1H3
InChIKeyWOEZORUVOHHUBD-UHFFFAOYSA-N
XLogP3.58
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
4-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-2-fluorobenzonitrile
CID 171960871
2-(3-hydroxy-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile
CID 171953896
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
2-(9-benzyl-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-4,5-difluorobenzonitrile
CID 171954058
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821

Frequently Asked Questions

What is the IUPAC name of 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile?
The IUPAC name of 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile (CID 171953892) is 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile?
The canonical SMILES for 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile is COc1ccc(C#N)c(C2(O)CC3CCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile?
The InChIKey is WOEZORUVOHHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-20-10-7-17(14-23)21(11-20)22(25)12-18-8-9-19(13-22)24(18)15-16-5-3-2-4-6-16/h2-7,10-11,18-19,25H,8-9,12-13,15H2,1H3.
What are the key properties of 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile?
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile has a molecular weight of 348.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzonitrile is sourced from PubChem (CID 171953892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).