(1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol

C15H22NO+ — CID 98140534

IUPAC(1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C15H22NO/c1-16(11-12-5-3-2-4-6-12)13-7-8-14(16)10-15(17)9-13/h2-6,13-15,17H,7-11H2,1H3/q+1/t13-,14-,15?,16?/m1/s1
InChIKeyBSGSJFKWCAYJRL-WXLSXGNJSA-N
MW232.35 g/mol
LogP2.32
Rot. Bonds2

About (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol

(1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 98140534) has the molecular formula C15H22NO+ and a molecular weight of 232.35 g/mol. Its IUPAC name is (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID98140534
Molecular FormulaC15H22NO+
Molecular Weight232.35 g/mol
Exact Mass232.17
IUPAC Name(1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C15H22NO/c1-16(11-12-5-3-2-4-6-12)13-7-8-14(16)10-15(17)9-13/h2-6,13-15,17H,7-11H2,1H3/q+1/t13-,14-,15?,16?/m1/s1
InChIKeyBSGSJFKWCAYJRL-WXLSXGNJSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol 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

1-benzyl-1,2,5-trimethylpyrrolidin-1-ium
CID 89308180
3-(8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile bromide
CID 11306622
1,6-bis[(1S,5R)-8-benzyl-8-methyl-3-aza-8-azoniabicyclo[3.2.1]octan-3-yl]hexane-1,6-dione
CID 11285495
[(1R,5R)-8-methyl-8-[(4-methylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide
CID 50909186
(1S,5R)-8-[8-[(1S,5R)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]octyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 100917111
(1S,3S,6R)-1-benzyl-6-methyl-1-oxidopiperidin-1-ium-3-ol
CID 100915975
(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol
CID 59019158
[(1S,5R)-8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
CID 24847381
[(1R,5S)-8-methyl-8-[(4-pentylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
CID 71301077
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol
CID 71090567

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 98140534) is (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol is C[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H]1CC(O)C2.
What is the InChIKey of (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is BSGSJFKWCAYJRL-WXLSXGNJSA-N. The full InChI is InChI=1S/C15H22NO/c1-16(11-12-5-3-2-4-6-12)13-7-8-14(16)10-15(17)9-13/h2-6,13-15,17H,7-11H2,1H3/q+1/t13-,14-,15?,16?/m1/s1.
What are the key properties of (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 232.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 98140534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).