1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C19H22ClN3O2 — CID 50896124

IUPAC1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1
InChIInChI=1S/C19H22ClN3O2/c1-14-4-2-5-15(12-14)25-13-18(24)22-8-10-23(11-9-22)19-16(20)6-3-7-17(19)21/h2-7,12H,8-11,13,21H2,1H3
InChIKeyFOQJWMPSKRWZQI-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 50896124) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID50896124
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1
InChIInChI=1S/C19H22ClN3O2/c1-14-4-2-5-15(12-14)25-13-18(24)22-8-10-23(11-9-22)19-16(20)6-3-7-17(19)21/h2-7,12H,8-11,13,21H2,1H3
InChIKeyFOQJWMPSKRWZQI-UHFFFAOYSA-N
XLogP2.96
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.96
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

1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 50896111
1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 50896062
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 26204258
tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 50896124) is 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1.
What is the InChIKey of 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is FOQJWMPSKRWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-4-2-5-15(12-14)25-13-18(24)22-8-10-23(11-9-22)19-16(20)6-3-7-17(19)21/h2-7,12H,8-11,13,21H2,1H3.
What are the key properties of 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 359.86 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 50896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).