4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine

C20H32N2O3 — CID 170869645

IUPAC4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
SMILESc1ccc(OCCCN2CCOCC2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C20H32N2O3/c1-2-7-20(25-14-4-9-22-12-17-24-18-13-22)19(5-1)6-3-8-21-10-15-23-16-11-21/h1-2,5,7H,3-4,6,8-18H2
InChIKeyVYIDYEZJCAVUTK-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.05
Rot. Bonds9

About 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine

4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine (PubChem CID 170869645) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
PubChem CID170869645
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
SMILESc1ccc(OCCCN2CCOCC2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C20H32N2O3/c1-2-7-20(25-14-4-9-22-12-17-24-18-13-22)19(5-1)6-3-8-21-10-15-23-16-11-21/h1-2,5,7H,3-4,6,8-18H2
InChIKeyVYIDYEZJCAVUTK-UHFFFAOYSA-N
XLogP2.05
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-morpholin-4-ylpropyl)phenoxy]propyl-triphenylphosphanium
CID 170869428
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine (CID 170869645) is 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine is c1ccc(OCCCN2CCOCC2)c(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine?
The InChIKey is VYIDYEZJCAVUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-2-7-20(25-14-4-9-22-12-17-24-18-13-22)19(5-1)6-3-8-21-10-15-23-16-11-21/h1-2,5,7H,3-4,6,8-18H2.
What are the key properties of 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine?
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine has a molecular weight of 348.49 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine is sourced from PubChem (CID 170869645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).