4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine

C16H21N3O — CID 45102788

IUPAC4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine
SMILESC1=C(c2ccc(N3CCOCC3)nc2)C2CCN1CC2
InChIInChI=1S/C16H21N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11-13H,3-10H2
InChIKeyBFODRRSFOKQAGF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.98
Rot. Bonds2

About 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine

4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine (PubChem CID 45102788) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine
PubChem CID45102788
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine
SMILESC1=C(c2ccc(N3CCOCC3)nc2)C2CCN1CC2
InChIInChI=1S/C16H21N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11-13H,3-10H2
InChIKeyBFODRRSFOKQAGF-UHFFFAOYSA-N
XLogP1.98
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine (CID 45102788) is 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine is C1=C(c2ccc(N3CCOCC3)nc2)C2CCN1CC2.
What is the InChIKey of 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine?
The InChIKey is BFODRRSFOKQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11-13H,3-10H2.
What are the key properties of 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine?
4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 45102788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).