4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine

C21H25NO — CID 132547689

IUPAC4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
SMILESC(#CC(C#CC1CCCCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1,3-4,7-8,20-21H,2,5-6,9-10,15-18H2
InChIKeyKYZRUMIXUCGMEF-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.32
Rot. Bonds1

About 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine

4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine (PubChem CID 132547689) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
PubChem CID132547689
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
SMILESC(#CC(C#CC1CCCCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1,3-4,7-8,20-21H,2,5-6,9-10,15-18H2
InChIKeyKYZRUMIXUCGMEF-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71426639
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
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CID 101430696
4-(1-cyclohexyl-3-pyridin-2-ylprop-2-ynyl)morpholine
CID 46184784
4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 101430688
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CID 102055055
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
CID 102573673
1-cyclohexyl-4-phenylbut-3-yne-1,2-diol
CID 134942948
1-cyclohexyl-3-phenylprop-2-yn-1-ol
CID 11042123
2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)-6-nitrophenol
CID 45146465
1-[1,5-bis(4-methylphenyl)penta-1,4-diyn-3-yl]piperidine
CID 46855245

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine?
The IUPAC name of 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine (CID 132547689) is 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine.
What is the SMILES notation for 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine?
The canonical SMILES for 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine is C(#CC(C#CC1CCCCC1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine?
The InChIKey is KYZRUMIXUCGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1,3-4,7-8,20-21H,2,5-6,9-10,15-18H2.
What are the key properties of 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine?
4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine has a molecular weight of 307.44 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine is sourced from PubChem (CID 132547689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).