8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C21H23F2NO — CID 171961758

IUPAC8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H23F2NO/c22-19-9-6-16(10-20(19)23)11-21(25)12-17-7-8-18(13-21)24(17)14-15-4-2-1-3-5-15/h1-6,9-10,17-18,25H,7-8,11-14H2
InChIKeyCUHBAGSDCNSHLZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.07
Rot. Bonds4

About 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171961758) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171961758
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C21H23F2NO/c22-19-9-6-16(10-20(19)23)11-21(25)12-17-7-8-18(13-21)24(17)14-15-4-2-1-3-5-15/h1-6,9-10,17-18,25H,7-8,11-14H2
InChIKeyCUHBAGSDCNSHLZ-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-benzyl-3-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171959064
8-benzyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956906
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
9-benzyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963156
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
4-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-2-fluorobenzonitrile
CID 171960871
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959524
8-benzyl-3-decyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955895
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171961758) is 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cc2ccc(F)c(F)c2)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CUHBAGSDCNSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c22-19-9-6-16(10-20(19)23)11-21(25)12-17-7-8-18(13-21)24(17)14-15-4-2-1-3-5-15/h1-6,9-10,17-18,25H,7-8,11-14H2.
What are the key properties of 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 343.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171961758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).