4-(1-phenylhept-1-yn-3-yl)morpholine

C17H23NO — CID 101430696

IUPAC4-(1-phenylhept-1-yn-3-yl)morpholine
SMILESCCCCC(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H23NO/c1-2-3-9-17(18-12-14-19-15-13-18)11-10-16-7-5-4-6-8-16/h4-8,17H,2-3,9,12-15H2,1H3
InChIKeyVBQCLDMEUVMJRA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds4

About 4-(1-phenylhept-1-yn-3-yl)morpholine

4-(1-phenylhept-1-yn-3-yl)morpholine (PubChem CID 101430696) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(1-phenylhept-1-yn-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-phenylhept-1-yn-3-yl)morpholine
PubChem CID101430696
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-(1-phenylhept-1-yn-3-yl)morpholine
SMILESCCCCC(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H23NO/c1-2-3-9-17(18-12-14-19-15-13-18)11-10-16-7-5-4-6-8-16/h4-8,17H,2-3,9,12-15H2,1H3
InChIKeyVBQCLDMEUVMJRA-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
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

4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 101430688
1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
CID 142730750
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
CID 623968
4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
CID 102573673
[3-butyl-4,5-dimethylidene-6-(2-phenylethynyl)dec-1-ynyl]benzene
CID 12964189
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
CID 132547689
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylhept-1-yn-3-yl)morpholine?
The IUPAC name of 4-(1-phenylhept-1-yn-3-yl)morpholine (CID 101430696) is 4-(1-phenylhept-1-yn-3-yl)morpholine.
What is the SMILES notation for 4-(1-phenylhept-1-yn-3-yl)morpholine?
The canonical SMILES for 4-(1-phenylhept-1-yn-3-yl)morpholine is CCCCC(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(1-phenylhept-1-yn-3-yl)morpholine?
The InChIKey is VBQCLDMEUVMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-3-9-17(18-12-14-19-15-13-18)11-10-16-7-5-4-6-8-16/h4-8,17H,2-3,9,12-15H2,1H3.
What are the key properties of 4-(1-phenylhept-1-yn-3-yl)morpholine?
4-(1-phenylhept-1-yn-3-yl)morpholine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylhept-1-yn-3-yl)morpholine is sourced from PubChem (CID 101430696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).