(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

C15H19Cl2NO — CID 162634414

IUPAC(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO/c16-14-5-2-6-15(17)13(14)9-18-10-3-1-4-11(18)8-12(19)7-10/h2,5-6,10-12,19H,1,3-4,7-9H2/t10-,11+,12?
InChIKeySOLGNWFOPGLGCZ-FOSCPWQOSA-N
MW300.23 g/mol
LogP3.87
Rot. Bonds2

About (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 162634414) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID162634414
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO/c16-14-5-2-6-15(17)13(14)9-18-10-3-1-4-11(18)8-12(19)7-10/h2,5-6,10-12,19H,1,3-4,7-9H2/t10-,11+,12?
InChIKeySOLGNWFOPGLGCZ-FOSCPWQOSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 162634414) is (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol is OC1C[C@H]2CCC[C@@H](C1)N2Cc1c(Cl)cccc1Cl.
What is the InChIKey of (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is SOLGNWFOPGLGCZ-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-14-5-2-6-15(17)13(14)9-18-10-3-1-4-11(18)8-12(19)7-10/h2,5-6,10-12,19H,1,3-4,7-9H2/t10-,11+,12?.
What are the key properties of (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 300.23 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 162634414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).