4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine

C20H24N2O2 — CID 686775

IUPAC4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine
SMILESC(#Cc1ccc(C#CCN2CCOCC2)cc1)CN1CCOCC1
InChIInChI=1S/C20H24N2O2/c1(9-21-11-15-23-16-12-21)3-19-5-7-20(8-6-19)4-2-10-22-13-17-24-18-14-22/h5-8H,9-18H2
InChIKeyDPLLXVHQUWBLEY-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.05
Rot. Bonds2

About 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine

4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine (PubChem CID 686775) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine
PubChem CID686775
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine
SMILESC(#Cc1ccc(C#CCN2CCOCC2)cc1)CN1CCOCC1
InChIInChI=1S/C20H24N2O2/c1(9-21-11-15-23-16-12-21)3-19-5-7-20(8-6-19)4-2-10-22-13-17-24-18-14-22/h5-8H,9-18H2
InChIKeyDPLLXVHQUWBLEY-UHFFFAOYSA-N
XLogP1.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine?
The IUPAC name of 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine (CID 686775) is 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine is C(#Cc1ccc(C#CCN2CCOCC2)cc1)CN1CCOCC1.
What is the InChIKey of 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine?
The InChIKey is DPLLXVHQUWBLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1(9-21-11-15-23-16-12-21)3-19-5-7-20(8-6-19)4-2-10-22-13-17-24-18-14-22/h5-8H,9-18H2.
What are the key properties of 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine?
4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine has a molecular weight of 324.42 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholine is sourced from PubChem (CID 686775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).