2-(morpholin-4-ylmethyl)benzonitrile

C12H14N2O — CID 3302213

IUPAC2-(morpholin-4-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C12H14N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2
InChIKeyWXZFICVYQDEYTK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.39
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)benzonitrile

2-(morpholin-4-ylmethyl)benzonitrile (PubChem CID 3302213) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)benzonitrile
PubChem CID3302213
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(morpholin-4-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1CN1CCOCC1
InChIInChI=1S/C12H14N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2
InChIKeyWXZFICVYQDEYTK-UHFFFAOYSA-N
XLogP1.39
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholino(phenyl)acetonitrile
CID 85812
4-((Morpholin-4-yl)methyl)benzonitrile
CID 216864
4-Benzylmorpholine
CID 249546
4-Benzylmorpholine hydrochloride
CID 2849468
4-Benzylmorpholine-2-carbonitrile
CID 15651195
(Z)-3-(4-fluorophenyl)-3-morpholin-4-ylprop-2-enenitrile
CID 2410071
3-(4-Morpholinyl)-2-phenylacrylonitrile
CID 766665
(2E)-3-(morpholin-4-yl)-2-phenylprop-2-enenitrile
CID 2054625
2-Morpholino-2-(p-tolyl)acetonitrile
CID 3244987
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)benzonitrile?
The IUPAC name of 2-(morpholin-4-ylmethyl)benzonitrile (CID 3302213) is 2-(morpholin-4-ylmethyl)benzonitrile.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)benzonitrile?
The canonical SMILES for 2-(morpholin-4-ylmethyl)benzonitrile is N#Cc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)benzonitrile?
The InChIKey is WXZFICVYQDEYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2.
What are the key properties of 2-(morpholin-4-ylmethyl)benzonitrile?
2-(morpholin-4-ylmethyl)benzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)benzonitrile is sourced from PubChem (CID 3302213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).