4-(1-phenylbut-2-ynyl)morpholine

C14H17NO — CID 3787055

IUPAC4-(1-phenylbut-2-ynyl)morpholine
SMILESCC#CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H17NO/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15/h3-5,7-8,14H,9-12H2,1H3
InChIKeyUDBXPCRALAMJGX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.08
Rot. Bonds2

About 4-(1-phenylbut-2-ynyl)morpholine

4-(1-phenylbut-2-ynyl)morpholine (PubChem CID 3787055) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(1-phenylbut-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(1-phenylbut-2-ynyl)morpholine
PubChem CID3787055
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(1-phenylbut-2-ynyl)morpholine
SMILESCC#CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H17NO/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15/h3-5,7-8,14H,9-12H2,1H3
InChIKeyUDBXPCRALAMJGX-UHFFFAOYSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.08
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

(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
CID 11325787
4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
CID 177392713
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
N-methyl-N-[morpholin-4-yl(phenyl)methyl]aniline
CID 91471517
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile
CID 673390
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbut-2-ynyl)morpholine?
The IUPAC name of 4-(1-phenylbut-2-ynyl)morpholine (CID 3787055) is 4-(1-phenylbut-2-ynyl)morpholine.
What is the SMILES notation for 4-(1-phenylbut-2-ynyl)morpholine?
The canonical SMILES for 4-(1-phenylbut-2-ynyl)morpholine is CC#CC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(1-phenylbut-2-ynyl)morpholine?
The InChIKey is UDBXPCRALAMJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15/h3-5,7-8,14H,9-12H2,1H3.
What are the key properties of 4-(1-phenylbut-2-ynyl)morpholine?
4-(1-phenylbut-2-ynyl)morpholine has a molecular weight of 215.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbut-2-ynyl)morpholine is sourced from PubChem (CID 3787055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).