2-morpholin-4-yl-4-phenylbutanenitrile

C14H18N2O — CID 15907702

IUPAC2-morpholin-4-yl-4-phenylbutanenitrile
SMILESN#CC(CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18N2O/c15-12-14(16-8-10-17-11-9-16)7-6-13-4-2-1-3-5-13/h1-5,14H,6-11H2
InChIKeyPWENLPZXLBKPHD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.84
Rot. Bonds4

About 2-morpholin-4-yl-4-phenylbutanenitrile

2-morpholin-4-yl-4-phenylbutanenitrile (PubChem CID 15907702) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-4-phenylbutanenitrile
PubChem CID15907702
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-morpholin-4-yl-4-phenylbutanenitrile
SMILESN#CC(CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18N2O/c15-12-14(16-8-10-17-11-9-16)7-6-13-4-2-1-3-5-13/h1-5,14H,6-11H2
InChIKeyPWENLPZXLBKPHD-UHFFFAOYSA-N
XLogP1.84
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-morpholin-4-yl-4-phenylbutanenitrile 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 2-morpholin-4-yl-4-phenylbutanenitrile?
The IUPAC name of 2-morpholin-4-yl-4-phenylbutanenitrile (CID 15907702) is 2-morpholin-4-yl-4-phenylbutanenitrile.
What is the SMILES notation for 2-morpholin-4-yl-4-phenylbutanenitrile?
The canonical SMILES for 2-morpholin-4-yl-4-phenylbutanenitrile is N#CC(CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-4-phenylbutanenitrile?
The InChIKey is PWENLPZXLBKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-12-14(16-8-10-17-11-9-16)7-6-13-4-2-1-3-5-13/h1-5,14H,6-11H2.
What are the key properties of 2-morpholin-4-yl-4-phenylbutanenitrile?
2-morpholin-4-yl-4-phenylbutanenitrile has a molecular weight of 230.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-phenylbutanenitrile is sourced from PubChem (CID 15907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).