1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide

C19H26Br2N2 — CID 142643740

IUPAC1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
SMILESBr.Br.Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C19H24N2.2BrH/c1-16-7-9-18(10-8-16)15-20-11-13-21(14-12-20)19-6-4-3-5-17(19)2;;/h3-10H,11-15H2,1-2H3;2*1H
InChIKeyDRWLMHNJSUUUFW-UHFFFAOYSA-N
MW442.24 g/mol
LogP4.78
Rot. Bonds3

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

1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide (PubChem CID 142643740) has the molecular formula C19H26Br2N2 and a molecular weight of 442.24 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
PubChem CID142643740
Molecular FormulaC19H26Br2N2
Molecular Weight442.24 g/mol
Exact Mass440.05
IUPAC Name1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
SMILESBr.Br.Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C19H24N2.2BrH/c1-16-7-9-18(10-8-16)15-20-11-13-21(14-12-20)19-6-4-3-5-17(19)2;;/h3-10H,11-15H2,1-2H3;2*1H
InChIKeyDRWLMHNJSUUUFW-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.24
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 17496707
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methylphenyl)piperazine
CID 4997131
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazine;oxalic acid
CID 163327680
1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 1377205
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide?
The IUPAC name of 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide (CID 142643740) is 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide.
What is the SMILES notation for 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide?
The canonical SMILES for 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide is Br.Br.Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide?
The InChIKey is DRWLMHNJSUUUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2.2BrH/c1-16-7-9-18(10-8-16)15-20-11-13-21(14-12-20)19-6-4-3-5-17(19)2;;/h3-10H,11-15H2,1-2H3;2*1H.
What are the key properties of 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide?
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide has a molecular weight of 442.24 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide is sourced from PubChem (CID 142643740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).