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

C14H21N3O — CID 61289642

IUPAC(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C14H21N3O/c1-3-16-6-8-17(9-7-16)14(18)13-10-12(15)5-4-11(13)2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyWEUDETIZYYRGLU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds2

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

(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 61289642) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID61289642
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C14H21N3O/c1-3-16-6-8-17(9-7-16)14(18)13-10-12(15)5-4-11(13)2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyWEUDETIZYYRGLU-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

(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
(5-amino-2-methylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640078
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 170995564
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
(5-amino-2-methylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 120647849

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 61289642) is (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(N)ccc2C)CC1.
What is the InChIKey of (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is WEUDETIZYYRGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-16-6-8-17(9-7-16)14(18)13-10-12(15)5-4-11(13)2/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(5-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 (5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 61289642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).