4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile

C14H18N2O2 — CID 117009081

IUPAC4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile
SMILESCC(C)Oc1ccc(N2CCOCC2C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-11(2)18-14-5-3-12(4-6-14)16-7-8-17-10-13(16)9-15/h3-6,11,13H,7-8,10H2,1-2H3
InChIKeyLOPHNCFZLJBIPT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds3

About 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile

4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile (PubChem CID 117009081) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile
PubChem CID117009081
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile
SMILESCC(C)Oc1ccc(N2CCOCC2C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-11(2)18-14-5-3-12(4-6-14)16-7-8-17-10-13(16)9-15/h3-6,11,13H,7-8,10H2,1-2H3
InChIKeyLOPHNCFZLJBIPT-UHFFFAOYSA-N
XLogP2.20
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile 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-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile (CID 117009081) is 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile is CC(C)Oc1ccc(N2CCOCC2C#N)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile?
The InChIKey is LOPHNCFZLJBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(2)18-14-5-3-12(4-6-14)16-7-8-17-10-13(16)9-15/h3-6,11,13H,7-8,10H2,1-2H3.
What are the key properties of 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile?
4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile is sourced from PubChem (CID 117009081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).