(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride

C17H29Cl2N3O2 — CID 120646440

IUPAC(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCC1CN(C(=O)c2cc(N)ccc2C)CCN1CCOC.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-4-15-12-20(8-7-19(15)9-10-22-3)17(21)16-11-14(18)6-5-13(16)2;;/h5-6,11,15H,4,7-10,12,18H2,1-3H3;2*1H
InChIKeyWXUHXJRNZGYWSO-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.60
Rot. Bonds5

About (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride

(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120646440) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID120646440
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCC1CN(C(=O)c2cc(N)ccc2C)CCN1CCOC.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-4-15-12-20(8-7-19(15)9-10-22-3)17(21)16-11-14(18)6-5-13(16)2;;/h5-6,11,15H,4,7-10,12,18H2,1-3H3;2*1H
InChIKeyWXUHXJRNZGYWSO-UHFFFAOYSA-N
XLogP2.60
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 120646446
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530114
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
(4-amino-5-chloro-2-methoxyphenyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880485
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86966440
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 86966453
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride (CID 120646440) is (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride is CCC1CN(C(=O)c2cc(N)ccc2C)CCN1CCOC.Cl.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is WXUHXJRNZGYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-4-15-12-20(8-7-19(15)9-10-22-3)17(21)16-11-14(18)6-5-13(16)2;;/h5-6,11,15H,4,7-10,12,18H2,1-3H3;2*1H.
What are the key properties of (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride?
(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120646440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).