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

C13H19N3O — CID 59020784

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C13H19N3O/c1-11(14)15-7-9-16(10-8-15)12-5-3-4-6-13(12)17-2/h3-6,14H,7-10H2,1-2H3/b14-11+
InChIKeyBANQECFASWIDOL-SDNWHVSQSA-N
MW233.32 g/mol
LogP1.81
Rot. Bonds2

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

1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine (PubChem CID 59020784) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
PubChem CID59020784
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C13H19N3O/c1-11(14)15-7-9-16(10-8-15)12-5-3-4-6-13(12)17-2/h3-6,14H,7-10H2,1-2H3/b14-11+
InChIKeyBANQECFASWIDOL-SDNWHVSQSA-N
XLogP1.81
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
N-ethyl-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 841458
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 46784567
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine (CID 59020784) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine is [H]/N=C(\C)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
The InChIKey is BANQECFASWIDOL-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(14)15-7-9-16(10-8-15)12-5-3-4-6-13(12)17-2/h3-6,14H,7-10H2,1-2H3/b14-11+.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine?
1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine has a molecular weight of 233.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine is sourced from PubChem (CID 59020784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).