1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine

C17H25BrN2 — CID 64862217

IUPAC1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1Cc1ccccc1Br
InChIInChI=1S/C17H25BrN2/c1-2-5-15-10-19-17(13-8-9-13)12-20(15)11-14-6-3-4-7-16(14)18/h3-4,6-7,13,15,17,19H,2,5,8-12H2,1H3
InChIKeyAHXOGOVACXJQKB-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.80
Rot. Bonds5

About 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine

1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine (PubChem CID 64862217) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
PubChem CID64862217
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
SMILESCCCC1CNC(C2CC2)CN1Cc1ccccc1Br
InChIInChI=1S/C17H25BrN2/c1-2-5-15-10-19-17(13-8-9-13)12-20(15)11-14-6-3-4-7-16(14)18/h3-4,6-7,13,15,17,19H,2,5,8-12H2,1H3
InChIKeyAHXOGOVACXJQKB-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.80
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-cyclopropyl-2-propylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine (CID 64862217) is 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine is CCCC1CNC(C2CC2)CN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
The InChIKey is AHXOGOVACXJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-5-15-10-19-17(13-8-9-13)12-20(15)11-14-6-3-4-7-16(14)18/h3-4,6-7,13,15,17,19H,2,5,8-12H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine?
1-[(2-bromophenyl)methyl]-5-cyclopropyl-2-propylpiperazine has a molecular weight of 337.31 g/mol, XLogP of 3.80, 5 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-cyclopropyl-2-propylpiperazine is sourced from PubChem (CID 64862217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).