1-[(3-bromophenyl)methyl]piperazine

C11H15BrN2 — CID 876852

IUPAC1-[(3-bromophenyl)methyl]piperazine
SMILESBrc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H15BrN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
InChIKeyTUKZQYYLUARXKM-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.85
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]piperazine

1-[(3-bromophenyl)methyl]piperazine (PubChem CID 876852) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]piperazine
PubChem CID876852
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[(3-bromophenyl)methyl]piperazine
SMILESBrc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H15BrN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
InChIKeyTUKZQYYLUARXKM-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]piperazine?
The IUPAC name of 1-[(3-bromophenyl)methyl]piperazine (CID 876852) is 1-[(3-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]piperazine is Brc1cccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]piperazine?
The InChIKey is TUKZQYYLUARXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2.
What are the key properties of 1-[(3-bromophenyl)methyl]piperazine?
1-[(3-bromophenyl)methyl]piperazine has a molecular weight of 255.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]piperazine is sourced from PubChem (CID 876852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).