9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C15H22N2O2 — CID 86260595

IUPAC9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CN(C)CC(C1)C2(O)c1cccc(O)c1
InChIInChI=1S/C15H22N2O2/c1-16-7-12-9-17(2)10-13(8-16)15(12,19)11-4-3-5-14(18)6-11/h3-6,12-13,18-19H,7-10H2,1-2H3
InChIKeyFJJKYQQUDWQDDY-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.70
Rot. Bonds1

About 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 86260595) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID86260595
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CN(C)CC(C1)C2(O)c1cccc(O)c1
InChIInChI=1S/C15H22N2O2/c1-16-7-12-9-17(2)10-13(8-16)15(12,19)11-4-3-5-14(18)6-11/h3-6,12-13,18-19H,7-10H2,1-2H3
InChIKeyFJJKYQQUDWQDDY-UHFFFAOYSA-N
XLogP0.70
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 86260595) is 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is CN1CC2CN(C)CC(C1)C2(O)c1cccc(O)c1.
What is the InChIKey of 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is FJJKYQQUDWQDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-7-12-9-17(2)10-13(8-16)15(12,19)11-4-3-5-14(18)6-11/h3-6,12-13,18-19H,7-10H2,1-2H3.
What are the key properties of 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 262.35 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 86260595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).