1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol

C15H25NO2 — CID 113455139

IUPAC1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C15H25NO2/c1-2-3-4-7-14(17)15(8-5-6-9-15)16-10-12-18-13-11-16/h14,17H,4-13H2,1H3
InChIKeyOYAXZGBTFXQUPN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.80
Rot. Bonds4

About 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol

1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol (PubChem CID 113455139) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol
PubChem CID113455139
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C15H25NO2/c1-2-3-4-7-14(17)15(8-5-6-9-15)16-10-12-18-13-11-16/h14,17H,4-13H2,1H3
InChIKeyOYAXZGBTFXQUPN-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol (CID 113455139) is 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol is CC#CCCC(O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol?
The InChIKey is OYAXZGBTFXQUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-7-14(17)15(8-5-6-9-15)16-10-12-18-13-11-16/h14,17H,4-13H2,1H3.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol?
1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol is sourced from PubChem (CID 113455139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).