4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine

C18H24N2O — CID 23762855

IUPAC4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine
SMILESCN1CCC(C#Cc2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C18H24N2O/c1-19-11-9-18(10-12-19,20-13-15-21-16-14-20)8-7-17-5-3-2-4-6-17/h2-6H,9-16H2,1H3
InChIKeyPXCNHXIDWLXUAD-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.83
Rot. Bonds1

About 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine

4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine (PubChem CID 23762855) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine
PubChem CID23762855
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine
SMILESCN1CCC(C#Cc2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C18H24N2O/c1-19-11-9-18(10-12-19,20-13-15-21-16-14-20)8-7-17-5-3-2-4-6-17/h2-6H,9-16H2,1H3
InChIKeyPXCNHXIDWLXUAD-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine 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 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine (CID 23762855) is 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine is CN1CCC(C#Cc2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine?
The InChIKey is PXCNHXIDWLXUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19-11-9-18(10-12-19,20-13-15-21-16-14-20)8-7-17-5-3-2-4-6-17/h2-6H,9-16H2,1H3.
What are the key properties of 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine?
4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine has a molecular weight of 284.40 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 23762855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).