4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine

C23H26N2O2 — CID 623968

IUPAC4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
SMILESC(#Cc1ccc(C(N2CCOCC2)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-2-4-20(5-3-1)6-7-21-8-10-22(11-9-21)23(24-12-16-26-17-13-24)25-14-18-27-19-15-25/h1-5,8-11,23H,12-19H2
InChIKeyBBTWNKXINIEMRQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.75
Rot. Bonds3

About 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine

4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine (PubChem CID 623968) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
PubChem CID623968
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
SMILESC(#Cc1ccc(C(N2CCOCC2)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-2-4-20(5-3-1)6-7-21-8-10-22(11-9-21)23(24-12-16-26-17-13-24)25-14-18-27-19-15-25/h1-5,8-11,23H,12-19H2
InChIKeyBBTWNKXINIEMRQ-UHFFFAOYSA-N
XLogP2.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(2-phenylethynyl)phenyl]-piperidin-1-ylmethyl]piperidine
CID 71395677
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
2-phenylethynylbenzene;hydrofluoride
CID 158259923
4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
CID 132547689
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
CID 102573673
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine (CID 623968) is 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine is C(#Cc1ccc(C(N2CCOCC2)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine?
The InChIKey is BBTWNKXINIEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-4-20(5-3-1)6-7-21-8-10-22(11-9-21)23(24-12-16-26-17-13-24)25-14-18-27-19-15-25/h1-5,8-11,23H,12-19H2.
What are the key properties of 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine?
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine has a molecular weight of 362.47 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine is sourced from PubChem (CID 623968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).