4-(3-morpholin-4-ylpropoxy)benzonitrile

C14H18N2O2 — CID 2993836

IUPAC4-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESN#Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C14H18N2O2/c15-12-13-2-4-14(5-3-13)18-9-1-6-16-7-10-17-11-8-16/h2-5H,1,6-11H2
InChIKeySBCPMTIGBPCIGI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.66
Rot. Bonds5

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

4-(3-morpholin-4-ylpropoxy)benzonitrile (PubChem CID 2993836) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropoxy)benzonitrile
PubChem CID2993836
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESN#Cc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C14H18N2O2/c15-12-13-2-4-14(5-3-13)18-9-1-6-16-7-10-17-11-8-16/h2-5H,1,6-11H2
InChIKeySBCPMTIGBPCIGI-UHFFFAOYSA-N
XLogP1.66
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]benzonitrile
CID 43581427
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
CID 67131816
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropoxy)benzonitrile?
The IUPAC name of 4-(3-morpholin-4-ylpropoxy)benzonitrile (CID 2993836) is 4-(3-morpholin-4-ylpropoxy)benzonitrile.
What is the SMILES notation for 4-(3-morpholin-4-ylpropoxy)benzonitrile?
The canonical SMILES for 4-(3-morpholin-4-ylpropoxy)benzonitrile is N#Cc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(3-morpholin-4-ylpropoxy)benzonitrile?
The InChIKey is SBCPMTIGBPCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-12-13-2-4-14(5-3-13)18-9-1-6-16-7-10-17-11-8-16/h2-5H,1,6-11H2.
What are the key properties of 4-(3-morpholin-4-ylpropoxy)benzonitrile?
4-(3-morpholin-4-ylpropoxy)benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropoxy)benzonitrile is sourced from PubChem (CID 2993836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).