4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane

C13H19N3 — CID 69315328

IUPAC4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane
SMILESc1ccc(N2CCN3CCCC2CC3)nc1
InChIInChI=1S/C13H19N3/c1-2-7-14-13(5-1)16-11-10-15-8-3-4-12(16)6-9-15/h1-2,5,7,12H,3-4,6,8-11H2
InChIKeyGATSHDMHXNTLRV-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.76
Rot. Bonds1

About 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane

4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane (PubChem CID 69315328) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane
PubChem CID69315328
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane
SMILESc1ccc(N2CCN3CCCC2CC3)nc1
InChIInChI=1S/C13H19N3/c1-2-7-14-13(5-1)16-11-10-15-8-3-4-12(16)6-9-15/h1-2,5,7,12H,3-4,6,8-11H2
InChIKeyGATSHDMHXNTLRV-UHFFFAOYSA-N
XLogP1.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69319605
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69314160
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
CID 68567840
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
3-(4-pyridin-2-ylpiperazin-1-yl)azepane
CID 62642071
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane?
The IUPAC name of 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane (CID 69315328) is 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane?
The canonical SMILES for 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane is c1ccc(N2CCN3CCCC2CC3)nc1.
What is the InChIKey of 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane?
The InChIKey is GATSHDMHXNTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-7-14-13(5-1)16-11-10-15-8-3-4-12(16)6-9-15/h1-2,5,7,12H,3-4,6,8-11H2.
What are the key properties of 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane?
4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane has a molecular weight of 217.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-1,4-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 69315328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).