(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone

C13H19N3O — CID 103814619

IUPAC(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C13H19N3O/c1-10-9-15(2)6-7-16(10)13(17)11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeySFHVFACBLBOMJX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.04
Rot. Bonds1

About (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone

(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 103814619) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID103814619
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C13H19N3O/c1-10-9-15(2)6-7-16(10)13(17)11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeySFHVFACBLBOMJX-UHFFFAOYSA-N
XLogP1.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminobenzoyl)-4-methylpiperazine-2-carboxylic acid
CID 142180497
[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 97094162
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 75412242
(3-aminophenyl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124612184
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone (CID 103814619) is (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is SFHVFACBLBOMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-9-15(2)6-7-16(10)13(17)11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3.
What are the key properties of (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone?
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 103814619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).