2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile

C15H18N2O2 — CID 82179212

IUPAC2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile
SMILESCC1CN(C(=O)c2ccc(CC#N)cc2)CC(C)O1
InChIInChI=1S/C15H18N2O2/c1-11-9-17(10-12(2)19-11)15(18)14-5-3-13(4-6-14)7-8-16/h3-6,11-12H,7,9-10H2,1-2H3
InChIKeyWPDVQPQKGZHUKI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds2

About 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile

2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile (PubChem CID 82179212) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile
PubChem CID82179212
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile
SMILESCC1CN(C(=O)c2ccc(CC#N)cc2)CC(C)O1
InChIInChI=1S/C15H18N2O2/c1-11-9-17(10-12(2)19-11)15(18)14-5-3-13(4-6-14)7-8-16/h3-6,11-12H,7,9-10H2,1-2H3
InChIKeyWPDVQPQKGZHUKI-UHFFFAOYSA-N
XLogP2.00
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 27660858
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 167833927
5-chloro-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]benzonitrile
CID 133285979
(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 112759878
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111083743
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile (CID 82179212) is 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile is CC1CN(C(=O)c2ccc(CC#N)cc2)CC(C)O1.
What is the InChIKey of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile?
The InChIKey is WPDVQPQKGZHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-9-17(10-12(2)19-11)15(18)14-5-3-13(4-6-14)7-8-16/h3-6,11-12H,7,9-10H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile?
2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile is sourced from PubChem (CID 82179212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).