1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol

C17H21NO2 — CID 658760

IUPAC1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol
SMILESOC(C#CCN1CCOCC1)(c1ccccc1)C1CC1
InChIInChI=1S/C17H21NO2/c19-17(16-7-8-16,15-5-2-1-3-6-15)9-4-10-18-11-13-20-14-12-18/h1-3,5-6,16,19H,7-8,10-14H2
InChIKeyGLXSPIZLVFEIKI-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.62
Rot. Bonds3

About 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol

1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol (PubChem CID 658760) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol
PubChem CID658760
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol
SMILESOC(C#CCN1CCOCC1)(c1ccccc1)C1CC1
InChIInChI=1S/C17H21NO2/c19-17(16-7-8-16,15-5-2-1-3-6-15)9-4-10-18-11-13-20-14-12-18/h1-3,5-6,16,19H,7-8,10-14H2
InChIKeyGLXSPIZLVFEIKI-UHFFFAOYSA-N
XLogP1.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
1-cyclopentyl-5-morpholin-4-yl-1-phenylpent-3-yn-1-ol
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CID 7332936
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
1-cyclopentyl-1-phenylpent-2-yn-1-ol
CID 59644486
1-amino-2-morpholin-4-yl-1-phenylethanol
CID 67546296
1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine
CID 97466130
1-(4-cyclohexyl-4,5-diphenylpent-2-ynyl)piperidine
CID 91963143
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol
CID 3510563

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol?
The IUPAC name of 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol (CID 658760) is 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol?
The canonical SMILES for 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol is OC(C#CCN1CCOCC1)(c1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol?
The InChIKey is GLXSPIZLVFEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(16-7-8-16,15-5-2-1-3-6-15)9-4-10-18-11-13-20-14-12-18/h1-3,5-6,16,19H,7-8,10-14H2.
What are the key properties of 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol?
1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol has a molecular weight of 271.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol is sourced from PubChem (CID 658760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).