(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride

C19H24Cl3N3O2 — CID 119946209

IUPAC(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O2.2ClH/c20-15-5-7-16(8-6-15)25-14-13-22-9-11-23(12-10-22)19(24)17-3-1-2-4-18(17)21;;/h1-8H,9-14,21H2;2*1H
InChIKeyFDEVQVWRJNLXEL-UHFFFAOYSA-N
MW432.78 g/mol
LogP3.60
Rot. Bonds5

About (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride

(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119946209) has the molecular formula C19H24Cl3N3O2 and a molecular weight of 432.78 g/mol. Its IUPAC name is (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119946209
Molecular FormulaC19H24Cl3N3O2
Molecular Weight432.78 g/mol
Exact Mass431.09
IUPAC Name(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O2.2ClH/c20-15-5-7-16(8-6-15)25-14-13-22-9-11-23(12-10-22)19(24)17-3-1-2-4-18(17)21;;/h1-8H,9-14,21H2;2*1H
InChIKeyFDEVQVWRJNLXEL-UHFFFAOYSA-N
XLogP3.60
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.78
LogP ≤ 53.60
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

(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
3-(2-aminophenyl)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120612068
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 30870244
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55826065
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 18204303
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride (CID 119946209) is (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is FDEVQVWRJNLXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.2ClH/c20-15-5-7-16(8-6-15)25-14-13-22-9-11-23(12-10-22)19(24)17-3-1-2-4-18(17)21;;/h1-8H,9-14,21H2;2*1H.
What are the key properties of (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride?
(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 432.78 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119946209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).