(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

C14H17FN2O2 — CID 45269230

IUPAC(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
SMILESO=C(Oc1ccc(F)cc1)N1CCN2CCC1CC2
InChIInChI=1S/C14H17FN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
InChIKeyUIEUWYVLTWWADX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.10
Rot. Bonds1

About (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate (PubChem CID 45269230) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
PubChem CID45269230
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
SMILESO=C(Oc1ccc(F)cc1)N1CCN2CCC1CC2
InChIInChI=1S/C14H17FN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
InChIKeyUIEUWYVLTWWADX-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45272638
[4-(2,3-dimethylphenyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 10269338
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
(4-nitrophenyl) (2S)-2-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 176905756
(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819308
1,4-diazabicyclo[3.2.2]nonan-4-yl-[3-(4-fluorophenyl)-5-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]methanone
CID 168912152
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
1-(1,4-diazabicyclo[3.2.2]nonan-4-yl)propane-1,2-dione
CID 118461206
1,4-diazabicyclo[3.2.2]nonan-4-yl-[6-(trifluoromethoxy)-1H-indazol-3-yl]methanone
CID 11596464
(4-fluorophenyl) 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane-1-carboxylate
CID 18650009
(4-fluorophenyl) 5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylate
CID 69404920

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate?
The IUPAC name of (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate (CID 45269230) is (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate?
The canonical SMILES for (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate is O=C(Oc1ccc(F)cc1)N1CCN2CCC1CC2.
What is the InChIKey of (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate?
The InChIKey is UIEUWYVLTWWADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2.
What are the key properties of (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate?
(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate is sourced from PubChem (CID 45269230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).