[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone

C13H17Cl2N3O — CID 80504367

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)cc2Cl)C(CN)C1
InChIInChI=1S/C13H17Cl2N3O/c1-17-4-5-18(10(7-16)8-17)13(19)11-3-2-9(14)6-12(11)15/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeyBNYNKSINXHIRIE-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.71
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 80504367) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
PubChem CID80504367
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)cc2Cl)C(CN)C1
InChIInChI=1S/C13H17Cl2N3O/c1-17-4-5-18(10(7-16)8-17)13(19)11-3-2-9(14)6-12(11)15/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeyBNYNKSINXHIRIE-UHFFFAOYSA-N
XLogP1.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone 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-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 80504286
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80504988
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 80504889
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345098
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80504899
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-chloro-1-propan-2-ylpyrrol-2-yl)methanone
CID 80504885
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 104872380
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940117
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 80504849
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone
CID 80504854
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 80504285

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone (CID 80504367) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone is CN1CCN(C(=O)c2ccc(Cl)cc2Cl)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is BNYNKSINXHIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-17-4-5-18(10(7-16)8-17)13(19)11-3-2-9(14)6-12(11)15/h2-3,6,10H,4-5,7-8,16H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 302.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 80504367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).