1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine

C19H22BrClN2 — CID 118109247

IUPAC1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrClN2/c1-2-22-11-13-23(14-12-22)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyLWANWVVLPSEQRW-UHFFFAOYSA-N
MW393.76 g/mol
LogP4.83
Rot. Bonds4

About 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine

1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine (PubChem CID 118109247) has the molecular formula C19H22BrClN2 and a molecular weight of 393.76 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
PubChem CID118109247
Molecular FormulaC19H22BrClN2
Molecular Weight393.76 g/mol
Exact Mass392.07
IUPAC Name1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrClN2/c1-2-22-11-13-23(14-12-22)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyLWANWVVLPSEQRW-UHFFFAOYSA-N
XLogP4.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine 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

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Chlorcyclizine Hydrochloride
CID 62413
Clocinizine
CID 5375618
Chlorcyclizine, (R)-
CID 688438
(E)-3-(4-bromophenyl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 73169083
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
Chlorcyclizine, (S)-
CID 688437
1-(Bis(4-chlorophenyl)methyl)-4-methylpiperazine
CID 3065515
1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
1-[Bis(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 91799670
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine
CID 118119338

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine (CID 118109247) is 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine is CCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine?
The InChIKey is LWANWVVLPSEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN2/c1-2-22-11-13-23(14-12-22)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine?
1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine has a molecular weight of 393.76 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 118109247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).