2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone

C14H21N3O — CID 4741095

IUPAC2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(C(=O)CN)CC2)c(C)c1
InChIInChI=1S/C14H21N3O/c1-11-3-4-13(12(2)9-11)16-5-7-17(8-6-16)14(18)10-15/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyYIJPIGHNINMCBD-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone

2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 4741095) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID4741095
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(C(=O)CN)CC2)c(C)c1
InChIInChI=1S/C14H21N3O/c1-11-3-4-13(12(2)9-11)16-5-7-17(8-6-16)14(18)10-15/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyYIJPIGHNINMCBD-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
1-[4-(2-bromo-4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113079456
2-amino-1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]ethanone
CID 82124959
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone (CID 4741095) is 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone is Cc1ccc(N2CCN(C(=O)CN)CC2)c(C)c1.
What is the InChIKey of 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is YIJPIGHNINMCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-3-4-13(12(2)9-11)16-5-7-17(8-6-16)14(18)10-15/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 4741095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).