3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile

C15H20N2O — CID 62780582

IUPAC3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
SMILESCC1CN(C(CC#N)c2ccccc2)CC(C)O1
InChIInChI=1S/C15H20N2O/c1-12-10-17(11-13(2)18-12)15(8-9-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8,10-11H2,1-2H3
InChIKeyOTQMJOPEAGPNST-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile

3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile (PubChem CID 62780582) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
PubChem CID62780582
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
SMILESCC1CN(C(CC#N)c2ccccc2)CC(C)O1
InChIInChI=1S/C15H20N2O/c1-12-10-17(11-13(2)18-12)15(8-9-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8,10-11H2,1-2H3
InChIKeyOTQMJOPEAGPNST-UHFFFAOYSA-N
XLogP2.75
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile (CID 62780582) is 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile is CC1CN(C(CC#N)c2ccccc2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile?
The InChIKey is OTQMJOPEAGPNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-10-17(11-13(2)18-12)15(8-9-16)14-6-4-3-5-7-14/h3-7,12-13,15H,8,10-11H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile?
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile is sourced from PubChem (CID 62780582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).