2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C13H18FN3 — CID 177116422

IUPAC2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2c1ccc(F)cn1
InChIInChI=1S/C13H18FN3/c1-9(2)16-7-12-5-11(16)8-17(12)13-4-3-10(14)6-15-13/h3-4,6,9,11-12H,5,7-8H2,1-2H3
InChIKeyRTRAXAIJEFDAQS-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.89
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 177116422) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID177116422
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2c1ccc(F)cn1
InChIInChI=1S/C13H18FN3/c1-9(2)16-7-12-5-11(16)8-17(12)13-4-3-10(14)6-15-13/h3-4,6,9,11-12H,5,7-8H2,1-2H3
InChIKeyRTRAXAIJEFDAQS-UHFFFAOYSA-N
XLogP1.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 176692456
8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 90850246
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
CID 58036486
CID 58036486
8-(5-fluoro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762633
4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine
CID 146045340
(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane
CID 170207499
3-tert-butyl-6-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;methane;2-(6-methoxy-3-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 158374679
CID 58036485
CID 58036485
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 177116422) is 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2CC1CN2c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RTRAXAIJEFDAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-9(2)16-7-12-5-11(16)8-17(12)13-4-3-10(14)6-15-13/h3-4,6,9,11-12H,5,7-8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 235.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 177116422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).