1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine

C18H21BrN2 — CID 791198

IUPAC1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h2-9H,10-14H2,1H3
InChIKeyDJHUDCXHLQWMDJ-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.08
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine

1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine (PubChem CID 791198) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine
PubChem CID791198
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h2-9H,10-14H2,1H3
InChIKeyDJHUDCXHLQWMDJ-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenbenzamine
CID 13751
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
1,4-Bis(2,6-dimethylphenyl)piperazine
CID 1247098
N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
n,n-Dibenzyl-4-bromoaniline
CID 285423
1-(2,5-Dimethylphenyl)-4-(3-phenylpropyl)piperazine
CID 1376387
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
CID 57342889
Sifaprazine
CID 3058753
1-(2-Fluorophenyl)-4-(2-methyl-3-phenyl-2-propen-1-yl)piperazine
CID 2055594

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine (CID 791198) is 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine?
The InChIKey is DJHUDCXHLQWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine?
1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine has a molecular weight of 345.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 791198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).