4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine

C19H22BrN3 — CID 2273174

IUPAC4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine
SMILESC=C(NN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3/c1-16(18-7-9-19(20)10-8-18)21-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-10,21H,1,11-15H2
InChIKeyIOVYPHOBMTZNGF-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.74
Rot. Bonds5

About 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine

4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine (PubChem CID 2273174) has the molecular formula C19H22BrN3 and a molecular weight of 372.31 g/mol. Its IUPAC name is 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine.

Molecular Properties

Compound Name4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine
PubChem CID2273174
Molecular FormulaC19H22BrN3
Molecular Weight372.31 g/mol
Exact Mass371.10
IUPAC Name4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine
SMILESC=C(NN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3/c1-16(18-7-9-19(20)10-8-18)21-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-10,21H,1,11-15H2
InChIKeyIOVYPHOBMTZNGF-UHFFFAOYSA-N
XLogP3.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
1-(4-benzylpiperazin-1-yl)-3-phenylthiourea
CID 154358323
4-benzyl-N-ethylpiperazin-1-amine
CID 67164318
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
3-(1-benzylpiperidin-4-yl)-1-(4-bromophenyl)prop-2-en-1-one
CID 175477502
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
CID 174819017
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
2-(4-benzylpiperazin-1-yl)-5-bromophenol
CID 46737219

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine?
The IUPAC name of 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine (CID 2273174) is 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine.
What is the SMILES notation for 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine?
The canonical SMILES for 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine is C=C(NN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine?
The InChIKey is IOVYPHOBMTZNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3/c1-16(18-7-9-19(20)10-8-18)21-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-10,21H,1,11-15H2.
What are the key properties of 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine?
4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine has a molecular weight of 372.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[1-(4-bromophenyl)ethenyl]piperazin-1-amine is sourced from PubChem (CID 2273174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).