8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

C20H21F3N2O — CID 171954342

IUPAC8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccnc(C(F)(F)F)c2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)18-10-15(8-9-24-18)19(26)11-16-6-7-17(12-19)25(16)13-14-4-2-1-3-5-14/h1-5,8-10,16-17,26H,6-7,11-13H2
InChIKeyQULONSVLOCCJBM-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.11
Rot. Bonds3

About 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171954342) has the molecular formula C20H21F3N2O and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171954342
Molecular FormulaC20H21F3N2O
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccnc(C(F)(F)F)c2)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)18-10-15(8-9-24-18)19(26)11-16-6-7-17(12-19)25(16)13-14-4-2-1-3-5-14/h1-5,8-10,16-17,26H,6-7,11-13H2
InChIKeyQULONSVLOCCJBM-UHFFFAOYSA-N
XLogP4.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 7-hydroxy-7-[2-(trifluoromethyl)-4-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171954361
8-benzyl-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171956781
8-benzyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962992
4-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-2-fluorobenzonitrile
CID 171960871
8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954689
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245
9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171954342) is 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2ccnc(C(F)(F)F)c2)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QULONSVLOCCJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)18-10-15(8-9-24-18)19(26)11-16-6-7-17(12-19)25(16)13-14-4-2-1-3-5-14/h1-5,8-10,16-17,26H,6-7,11-13H2.
What are the key properties of 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 362.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).