2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide

C13H20N4O — CID 43187281

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C13H20N4O/c1-18-12-4-2-3-11(9-12)17-7-5-16(6-8-17)10-13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15)
InChIKeyUCFMSJXEZBFZLW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide (PubChem CID 43187281) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide
PubChem CID43187281
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C13H20N4O/c1-18-12-4-2-3-11(9-12)17-7-5-16(6-8-17)10-13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15)
InChIKeyUCFMSJXEZBFZLW-UHFFFAOYSA-N
XLogP0.75
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24705538
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide (CID 43187281) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide?
The InChIKey is UCFMSJXEZBFZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-12-4-2-3-11(9-12)17-7-5-16(6-8-17)10-13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide has a molecular weight of 248.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 43187281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).