4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine

C21H24N2O2 — CID 58367786

IUPAC4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine
SMILESc1ccc(-c2cc3ccc(OCCCN4CCOCC4)cn3c2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-5-18(6-3-1)19-15-20-7-8-21(17-23(20)16-19)25-12-4-9-22-10-13-24-14-11-22/h1-3,5-8,15-17H,4,9-14H2
InChIKeyKHCYWMZPUBZNAR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.71
Rot. Bonds6

About 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine

4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine (PubChem CID 58367786) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine
PubChem CID58367786
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine
SMILESc1ccc(-c2cc3ccc(OCCCN4CCOCC4)cn3c2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-5-18(6-3-1)19-15-20-7-8-21(17-23(20)16-19)25-12-4-9-22-10-13-24-14-11-22/h1-3,5-8,15-17H,4,9-14H2
InChIKeyKHCYWMZPUBZNAR-UHFFFAOYSA-N
XLogP3.71
TPSA26.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine?
The IUPAC name of 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine (CID 58367786) is 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine.
What is the SMILES notation for 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine?
The canonical SMILES for 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine is c1ccc(-c2cc3ccc(OCCCN4CCOCC4)cn3c2)cc1.
What is the InChIKey of 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine?
The InChIKey is KHCYWMZPUBZNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-5-18(6-3-1)19-15-20-7-8-21(17-23(20)16-19)25-12-4-9-22-10-13-24-14-11-22/h1-3,5-8,15-17H,4,9-14H2.
What are the key properties of 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine?
4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine has a molecular weight of 336.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylindolizin-6-yl)oxypropyl]morpholine is sourced from PubChem (CID 58367786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).