4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile

C15H21N3O — CID 586071

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
SMILESCOc1ccccc1N1CCN(CCCC#N)CC1
InChIInChI=1S/C15H21N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,9-13H2,1H3
InChIKeyWVSYERWOHPJBJI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds5

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile

4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile (PubChem CID 586071) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
PubChem CID586071
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
SMILESCOc1ccccc1N1CCN(CCCC#N)CC1
InChIInChI=1S/C15H21N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,9-13H2,1H3
InChIKeyWVSYERWOHPJBJI-UHFFFAOYSA-N
XLogP2.12
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
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

1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propanenitrile
CID 69080468
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile
CID 21201404
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile (CID 586071) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile is COc1ccccc1N1CCN(CCCC#N)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile?
The InChIKey is WVSYERWOHPJBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-15-7-3-2-6-14(15)18-12-10-17(11-13-18)9-5-4-8-16/h2-3,6-7H,4-5,9-13H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile?
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile has a molecular weight of 259.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 586071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).