[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone

C19H23FN4O — CID 143096281

IUPAC[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone
SMILESCc1cc(N)cc(F)c1N1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C19H23FN4O/c1-13-9-16(22)11-17(20)18(13)23-5-7-24(8-6-23)19(25)15-4-2-3-14(10-15)12-21/h2-4,9-11H,5-8,12,21-22H2,1H3
InChIKeyARQMKKFBUSCIRO-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.14
Rot. Bonds3

About [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone

[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone (PubChem CID 143096281) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone
PubChem CID143096281
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone
SMILESCc1cc(N)cc(F)c1N1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C19H23FN4O/c1-13-9-16(22)11-17(20)18(13)23-5-7-24(8-6-23)19(25)15-4-2-3-14(10-15)12-21/h2-4,9-11H,5-8,12,21-22H2,1H3
InChIKeyARQMKKFBUSCIRO-UHFFFAOYSA-N
XLogP2.14
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]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

[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63157358
[4-(5-amino-2-methylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 96693276
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 34229440
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936686
[3-(aminomethyl)phenyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107211774
[4-(aminomethyl)phenyl]-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119282247

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone?
The IUPAC name of [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone (CID 143096281) is [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone?
The canonical SMILES for [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone is Cc1cc(N)cc(F)c1N1CCN(C(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone?
The InChIKey is ARQMKKFBUSCIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-9-16(22)11-17(20)18(13)23-5-7-24(8-6-23)19(25)15-4-2-3-14(10-15)12-21/h2-4,9-11H,5-8,12,21-22H2,1H3.
What are the key properties of [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone?
[4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-fluoro-6-methylphenyl)piperazin-1-yl]-[3-(aminomethyl)phenyl]methanone is sourced from PubChem (CID 143096281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).