1-(2-bromophenyl)-4-piperidin-3-ylpiperazine

C15H22BrN3 — CID 117026187

IUPAC1-(2-bromophenyl)-4-piperidin-3-ylpiperazine
SMILESBrc1ccccc1N1CCN(C2CCCNC2)CC1
InChIInChI=1S/C15H22BrN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)13-4-3-7-17-12-13/h1-2,5-6,13,17H,3-4,7-12H2
InChIKeyDZFJIAYDYYXLFH-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine

1-(2-bromophenyl)-4-piperidin-3-ylpiperazine (PubChem CID 117026187) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-piperidin-3-ylpiperazine
PubChem CID117026187
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name1-(2-bromophenyl)-4-piperidin-3-ylpiperazine
SMILESBrc1ccccc1N1CCN(C2CCCNC2)CC1
InChIInChI=1S/C15H22BrN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)13-4-3-7-17-12-13/h1-2,5-6,13,17H,3-4,7-12H2
InChIKeyDZFJIAYDYYXLFH-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine?
The IUPAC name of 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine (CID 117026187) is 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine.
What is the SMILES notation for 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine?
The canonical SMILES for 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine is Brc1ccccc1N1CCN(C2CCCNC2)CC1.
What is the InChIKey of 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine?
The InChIKey is DZFJIAYDYYXLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)13-4-3-7-17-12-13/h1-2,5-6,13,17H,3-4,7-12H2.
What are the key properties of 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine?
1-(2-bromophenyl)-4-piperidin-3-ylpiperazine has a molecular weight of 324.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-piperidin-3-ylpiperazine is sourced from PubChem (CID 117026187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).