1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol

C13H21NO2 — CID 784919

IUPAC1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCN2CCOCC2)CCCCC1
InChIInChI=1S/C13H21NO2/c15-13(5-2-1-3-6-13)7-4-8-14-9-11-16-12-10-14/h15H,1-3,5-6,8-12H2
InChIKeyPSAGJNPXKWASPI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.02
Rot. Bonds1

About 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol

1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol (PubChem CID 784919) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol
PubChem CID784919
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCN2CCOCC2)CCCCC1
InChIInChI=1S/C13H21NO2/c15-13(5-2-1-3-6-13)7-4-8-14-9-11-16-12-10-14/h15H,1-3,5-6,8-12H2
InChIKeyPSAGJNPXKWASPI-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.02
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-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol (CID 784919) is 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol is OC1(C#CCN2CCOCC2)CCCCC1.
What is the InChIKey of 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is PSAGJNPXKWASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(5-2-1-3-6-13)7-4-8-14-9-11-16-12-10-14/h15H,1-3,5-6,8-12H2.
What are the key properties of 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol?
1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 784919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).