9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C22H26FNO — CID 171959095

IUPAC9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1cc(F)cc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H26FNO/c1-16-10-18(12-19(23)11-16)22(25)13-20-8-5-9-21(14-22)24(20)15-17-6-3-2-4-7-17/h2-4,6-7,10-12,20-21,25H,5,8-9,13-15H2,1H3
InChIKeyHLSCQAZXASPZHA-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.54
Rot. Bonds3

About 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171959095) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171959095
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1cc(F)cc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H26FNO/c1-16-10-18(12-19(23)11-16)22(25)13-20-8-5-9-21(14-22)24(20)15-17-6-3-2-4-7-17/h2-4,6-7,10-12,20-21,25H,5,8-9,13-15H2,1H3
InChIKeyHLSCQAZXASPZHA-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957974
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
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
9-benzyl-7-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965074
9-benzyl-7-(3-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965098
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
9-benzyl-3-[2-methyl-3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964115

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171959095) is 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is Cc1cc(F)cc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is HLSCQAZXASPZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c1-16-10-18(12-19(23)11-16)22(25)13-20-8-5-9-21(14-22)24(20)15-17-6-3-2-4-7-17/h2-4,6-7,10-12,20-21,25H,5,8-9,13-15H2,1H3.
What are the key properties of 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 339.45 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171959095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).