(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone

C14H21N3O — CID 57431451

IUPAC(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N)cc2C)CC1
InChIInChI=1S/C14H21N3O/c1-3-16-6-8-17(9-7-16)14(18)13-5-4-12(15)10-11(13)2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyCZOVQNOOMYMVEP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds2

About (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone

(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 57431451) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID57431451
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N)cc2C)CC1
InChIInChI=1S/C14H21N3O/c1-3-16-6-8-17(9-7-16)14(18)13-5-4-12(15)10-11(13)2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyCZOVQNOOMYMVEP-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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)-(azetidin-1-yl)methanone
CID 130546505
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 170995564
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
tert-butyl 4-(4-amino-2-methylbenzoyl)piperazine-1-carboxylate
CID 104933242
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(4-amino-2-methylphenyl)-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 172578259
(4-amino-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 161210202
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 57431451) is (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(N)cc2C)CC1.
What is the InChIKey of (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is CZOVQNOOMYMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-16-6-8-17(9-7-16)14(18)13-5-4-12(15)10-11(13)2/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 57431451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).