5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile

C14H15N3O2 — CID 65340879

IUPAC5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(C(C#N)N2CCOCC2)cc1C#N
InChIInChI=1S/C14H15N3O2/c1-18-14-3-2-11(8-12(14)9-15)13(10-16)17-4-6-19-7-5-17/h2-3,8,13H,4-7H2,1H3
InChIKeyVZAGQBHJZBPDJM-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.46
Rot. Bonds3

About 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile

5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile (PubChem CID 65340879) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
PubChem CID65340879
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(C(C#N)N2CCOCC2)cc1C#N
InChIInChI=1S/C14H15N3O2/c1-18-14-3-2-11(8-12(14)9-15)13(10-16)17-4-6-19-7-5-17/h2-3,8,13H,4-7H2,1H3
InChIKeyVZAGQBHJZBPDJM-UHFFFAOYSA-N
XLogP1.46
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
5-[cyano-(4-methylpiperazin-1-yl)methyl]-2-methoxybenzonitrile
CID 65420538
(2R)-2-[4-[(R)-cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 28503663
2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 54298422
2-(3-bromo-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
CID 61036586
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(3-hydroxy-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65419662
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 113456484
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-methoxy-5-pentan-3-ylbenzonitrile
CID 117291789

Frequently Asked Questions

What is the IUPAC name of 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile (CID 65340879) is 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile is COc1ccc(C(C#N)N2CCOCC2)cc1C#N.
What is the InChIKey of 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile?
The InChIKey is VZAGQBHJZBPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-14-3-2-11(8-12(14)9-15)13(10-16)17-4-6-19-7-5-17/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile?
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile has a molecular weight of 257.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65340879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).