9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane

C15H22N2 — CID 57485548

IUPAC9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
SMILESc1cncc(C2CC3CCNCCC(C3)C2)c1
InChIInChI=1S/C15H22N2/c1-2-14(11-17-5-1)15-9-12-3-6-16-7-4-13(8-12)10-15/h1-2,5,11-13,15-16H,3-4,6-10H2
InChIKeyAPMCGISCLCTAQU-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.96
Rot. Bonds1

About 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane

9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane (PubChem CID 57485548) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane.

Molecular Properties

Compound Name9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
PubChem CID57485548
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
SMILESc1cncc(C2CC3CCNCCC(C3)C2)c1
InChIInChI=1S/C15H22N2/c1-2-14(11-17-5-1)15-9-12-3-6-16-7-4-13(8-12)10-15/h1-2,5,11-13,15-16H,3-4,6-10H2
InChIKeyAPMCGISCLCTAQU-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
3-pyrrolidin-3-ylpyridine
CID 3613651
4-pyridin-3-ylazepane
CID 83262248
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
CID 71522236
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
CID 79454588
2-pyridin-3-ylpiperazine
CID 3872289
8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
CID 57485542
6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
CID 57485543

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane?
The IUPAC name of 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane (CID 57485548) is 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane.
What is the SMILES notation for 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane?
The canonical SMILES for 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane is c1cncc(C2CC3CCNCCC(C3)C2)c1.
What is the InChIKey of 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane?
The InChIKey is APMCGISCLCTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-14(11-17-5-1)15-9-12-3-6-16-7-4-13(8-12)10-15/h1-2,5,11-13,15-16H,3-4,6-10H2.
What are the key properties of 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane?
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane has a molecular weight of 230.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane is sourced from PubChem (CID 57485548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).