3-(3-morpholin-4-ylpropyl)benzonitrile

C14H18N2O — CID 86190356

IUPAC3-(3-morpholin-4-ylpropyl)benzonitrile
SMILESN#Cc1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C14H18N2O/c15-12-14-4-1-3-13(11-14)5-2-6-16-7-9-17-10-8-16/h1,3-4,11H,2,5-10H2
InChIKeyMYHZIFLDOMHKGE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.82
Rot. Bonds4

About 3-(3-morpholin-4-ylpropyl)benzonitrile

3-(3-morpholin-4-ylpropyl)benzonitrile (PubChem CID 86190356) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)benzonitrile.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)benzonitrile
PubChem CID86190356
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(3-morpholin-4-ylpropyl)benzonitrile
SMILESN#Cc1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C14H18N2O/c15-12-14-4-1-3-13(11-14)5-2-6-16-7-9-17-10-8-16/h1,3-4,11H,2,5-10H2
InChIKeyMYHZIFLDOMHKGE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-morpholin-4-ylethylsulfonylmethyl)benzonitrile
CID 82178628
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
ethane;methoxymethane;3-(2-pyrrolidin-1-ylethyl)benzonitrile
CID 142930335
1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
CID 78862275
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
2-[(3-cyanophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188302
3-(2-morpholin-4-ylethyl)phenol
CID 82187913

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)benzonitrile?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)benzonitrile (CID 86190356) is 3-(3-morpholin-4-ylpropyl)benzonitrile.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)benzonitrile?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)benzonitrile is N#Cc1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)benzonitrile?
The InChIKey is MYHZIFLDOMHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-12-14-4-1-3-13(11-14)5-2-6-16-7-9-17-10-8-16/h1,3-4,11H,2,5-10H2.
What are the key properties of 3-(3-morpholin-4-ylpropyl)benzonitrile?
3-(3-morpholin-4-ylpropyl)benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)benzonitrile is sourced from PubChem (CID 86190356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).