1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine

C12H16BrClN2 — CID 125115938

IUPAC1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2c(Cl)cccc2Br)CC1
InChIInChI=1S/C12H16BrClN2/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3
InChIKeyDBUOURJWZOCZJN-UHFFFAOYSA-N
MW303.63 g/mol
LogP2.85
Rot. Bonds2

About 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine

1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine (PubChem CID 125115938) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
PubChem CID125115938
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2c(Cl)cccc2Br)CC1
InChIInChI=1S/C12H16BrClN2/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3
InChIKeyDBUOURJWZOCZJN-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327543
1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine
CID 171934677
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]-4-methylpiperazine
CID 173262581
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-[(4-bromo-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 117172246

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine (CID 125115938) is 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2c(Cl)cccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine?
The InChIKey is DBUOURJWZOCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3.
What are the key properties of 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine?
1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine has a molecular weight of 303.63 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 125115938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).