1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine

C14H21BrN2 — CID 64840935

IUPAC1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccccc2Br)C(C)CN1
InChIInChI=1S/C14H21BrN2/c1-3-13-10-17(11(2)8-16-13)9-12-6-4-5-7-14(12)15/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyWSLWZGOXXHDSKK-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine

1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine (PubChem CID 64840935) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
PubChem CID64840935
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccccc2Br)C(C)CN1
InChIInChI=1S/C14H21BrN2/c1-3-13-10-17(11(2)8-16-13)9-12-6-4-5-7-14(12)15/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyWSLWZGOXXHDSKK-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine (CID 64840935) is 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine is CCC1CN(Cc2ccccc2Br)C(C)CN1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine?
The InChIKey is WSLWZGOXXHDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-13-10-17(11(2)8-16-13)9-12-6-4-5-7-14(12)15/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine?
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 64840935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).