(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone

C14H21N3O — CID 16792662

IUPAC(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(C)cccc2N)CC1
InChIInChI=1S/C14H21N3O/c1-3-16-7-9-17(10-8-16)14(18)13-11(2)5-4-6-12(13)15/h4-6H,3,7-10,15H2,1-2H3
InChIKeyYVHXDTLAUWPVEX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds2

About (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone

(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 16792662) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID16792662
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(C)cccc2N)CC1
InChIInChI=1S/C14H21N3O/c1-3-16-7-9-17(10-8-16)14(18)13-11(2)5-4-6-12(13)15/h4-6H,3,7-10,15H2,1-2H3
InChIKeyYVHXDTLAUWPVEX-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

(2-amino-6-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210103
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835108
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682560
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 79772864
(5-amino-2,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 102704825
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 16792662) is (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2c(C)cccc2N)CC1.
What is the InChIKey of (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is YVHXDTLAUWPVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-16-7-9-17(10-8-16)14(18)13-11(2)5-4-6-12(13)15/h4-6H,3,7-10,15H2,1-2H3.
What are the key properties of (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(2-amino-6-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 (2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 16792662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).