4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile

C14H19N3O — CID 131887743

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
SMILESCOCCN1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C14H19N3O/c1-18-11-10-16-6-8-17(9-7-16)14-4-2-13(12-15)3-5-14/h2-5H,6-11H2,1H3
InChIKeyTVPYOWJDENGZLB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.33
Rot. Bonds4

About 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile

4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile (PubChem CID 131887743) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
PubChem CID131887743
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
SMILESCOCCN1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C14H19N3O/c1-18-11-10-16-6-8-17(9-7-16)14-4-2-13(12-15)3-5-14/h2-5H,6-11H2,1H3
InChIKeyTVPYOWJDENGZLB-UHFFFAOYSA-N
XLogP1.33
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
CID 126963334
4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
CID 67131816
methyl 4-[4-(4-cyanophenyl)piperazin-1-yl]butanoate
CID 177042407
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile
CID 153358140
sodium (E)-2-cyano-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]ethenolate
CID 68701865
methyl 2-[4-(4-cyanophenyl)piperazin-1-yl]acetate
CID 19391362
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328094
1-(2-methoxyethyl)-4-(3-oxopropyl)piperidine-4-carboxamide;4-(4-methylpiperazin-1-yl)benzonitrile
CID 143045468
4-[4-[2-(2-methylcyclohexyl)oxyethyl]-1,4-diazepan-1-yl]benzonitrile
CID 55703346
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile (CID 131887743) is 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile is COCCN1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile?
The InChIKey is TVPYOWJDENGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-11-10-16-6-8-17(9-7-16)14-4-2-13(12-15)3-5-14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile?
4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 131887743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).