(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone

C15H23N3O — CID 102704825

IUPAC(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)c(C)cc2C)CC1
InChIInChI=1S/C15H23N3O/c1-4-17-5-7-18(8-6-17)15(19)13-10-14(16)12(3)9-11(13)2/h9-10H,4-8,16H2,1-3H3
InChIKeyGPZSTMOKSXEYCC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.66
Rot. Bonds2

About (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone

(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 102704825) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID102704825
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)c(C)cc2C)CC1
InChIInChI=1S/C15H23N3O/c1-4-17-5-7-18(8-6-17)15(19)13-10-14(16)12(3)9-11(13)2/h9-10H,4-8,16H2,1-3H3
InChIKeyGPZSTMOKSXEYCC-UHFFFAOYSA-N
XLogP1.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.66
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

(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488
(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110761648
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
1-(5-amino-2,4-dimethylbenzoyl)-1,4-diazepan-5-one
CID 102705540
(4-ethylpiperazin-1-yl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 95970589
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 102704825) is (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(N)c(C)cc2C)CC1.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is GPZSTMOKSXEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-17-5-7-18(8-6-17)15(19)13-10-14(16)12(3)9-11(13)2/h9-10H,4-8,16H2,1-3H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 102704825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).