1-(4-bromophenyl)-3-propylpiperazine

C13H19BrN2 — CID 64925281

IUPAC1-(4-bromophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(Br)cc2)CCN1
InChIInChI=1S/C13H19BrN2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyPZJHMJVKEXQKLX-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-bromophenyl)-3-propylpiperazine

1-(4-bromophenyl)-3-propylpiperazine (PubChem CID 64925281) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-propylpiperazine
PubChem CID64925281
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(Br)cc2)CCN1
InChIInChI=1S/C13H19BrN2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyPZJHMJVKEXQKLX-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-propylpiperazine?
The IUPAC name of 1-(4-bromophenyl)-3-propylpiperazine (CID 64925281) is 1-(4-bromophenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)-3-propylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)-3-propylpiperazine is CCCC1CN(c2ccc(Br)cc2)CCN1.
What is the InChIKey of 1-(4-bromophenyl)-3-propylpiperazine?
The InChIKey is PZJHMJVKEXQKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-propylpiperazine?
1-(4-bromophenyl)-3-propylpiperazine has a molecular weight of 283.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-propylpiperazine is sourced from PubChem (CID 64925281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).