1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol

C16H28NO2+ — CID 685653

IUPAC1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol
SMILESCCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1
InChIInChI=1S/C16H28NO2/c1-2-10-17(12-14-19-15-13-17)11-6-9-16(18)7-4-3-5-8-16/h18H,2-5,7-8,10-15H2,1H3/q+1
InChIKeyVUYJCNQODWWWIA-UHFFFAOYSA-N
MW266.40 g/mol
LogP1.94
Rot. Bonds3

About 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol

1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol (PubChem CID 685653) has the molecular formula C16H28NO2+ and a molecular weight of 266.40 g/mol. Its IUPAC name is 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol
PubChem CID685653
Molecular FormulaC16H28NO2+
Molecular Weight266.40 g/mol
Exact Mass266.21
IUPAC Name1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol
SMILESCCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1
InChIInChI=1S/C16H28NO2/c1-2-10-17(12-14-19-15-13-17)11-6-9-16(18)7-4-3-5-8-16/h18H,2-5,7-8,10-15H2,1H3/q+1
InChIKeyVUYJCNQODWWWIA-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol (CID 685653) is 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol is CCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1.
What is the InChIKey of 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol?
The InChIKey is VUYJCNQODWWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28NO2/c1-2-10-17(12-14-19-15-13-17)11-6-9-16(18)7-4-3-5-8-16/h18H,2-5,7-8,10-15H2,1H3/q+1.
What are the key properties of 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol?
1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol has a molecular weight of 266.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propylmorpholin-4-ium-4-yl)prop-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 685653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).