1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride

C19H21BrCl2N2O2 — CID 171151135

IUPAC1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C19H20BrClN2O2.ClH/c20-18-4-2-1-3-15(18)13-22-9-11-23(12-10-22)19(24)14-25-17-7-5-16(21)6-8-17;/h1-8H,9-14H2;1H
InChIKeyUBCOGCHTAADYMQ-UHFFFAOYSA-N
MW460.20 g/mol
LogP4.25
Rot. Bonds5

About 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride

1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride (PubChem CID 171151135) has the molecular formula C19H21BrCl2N2O2 and a molecular weight of 460.20 g/mol. Its IUPAC name is 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
PubChem CID171151135
Molecular FormulaC19H21BrCl2N2O2
Molecular Weight460.20 g/mol
Exact Mass458.02
IUPAC Name1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C19H20BrClN2O2.ClH/c20-18-4-2-1-3-15(18)13-22-9-11-23(12-10-22)19(24)14-25-17-7-5-16(21)6-8-17;/h1-8H,9-14H2;1H
InChIKeyUBCOGCHTAADYMQ-UHFFFAOYSA-N
XLogP4.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 1126121
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
2-(4-chlorophenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366265
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;oxalic acid
CID 90483833
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154693
2-(4-chlorophenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782661
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878289
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride (CID 171151135) is 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride?
The InChIKey is UBCOGCHTAADYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2.ClH/c20-18-4-2-1-3-15(18)13-22-9-11-23(12-10-22)19(24)14-25-17-7-5-16(21)6-8-17;/h1-8H,9-14H2;1H.
What are the key properties of 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride?
1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride has a molecular weight of 460.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride is sourced from PubChem (CID 171151135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).