2-(4-bromophenyl)-2-piperazin-1-ylethanamine

C12H18BrN3 — CID 82094058

IUPAC2-(4-bromophenyl)-2-piperazin-1-ylethanamine
SMILESNCC(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H18BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-9,14H2
InChIKeyYXZZXSVZPPCCQZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-bromophenyl)-2-piperazin-1-ylethanamine

2-(4-bromophenyl)-2-piperazin-1-ylethanamine (PubChem CID 82094058) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-piperazin-1-ylethanamine
PubChem CID82094058
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name2-(4-bromophenyl)-2-piperazin-1-ylethanamine
SMILESNCC(c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H18BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-9,14H2
InChIKeyYXZZXSVZPPCCQZ-UHFFFAOYSA-N
XLogP1.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
(3R)-3-(4-bromophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306575
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
1-[bis(4-bromophenyl)methyl]-1,4-diazepane
CID 3760339
[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol
CID 81206159
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954778
1-[2-amino-1-(4-bromophenyl)ethyl]piperidin-3-ol
CID 55015978
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-piperazin-1-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-piperazin-1-ylethanamine (CID 82094058) is 2-(4-bromophenyl)-2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-piperazin-1-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-piperazin-1-ylethanamine is NCC(c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-bromophenyl)-2-piperazin-1-ylethanamine?
The InChIKey is YXZZXSVZPPCCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-9,14H2.
What are the key properties of 2-(4-bromophenyl)-2-piperazin-1-ylethanamine?
2-(4-bromophenyl)-2-piperazin-1-ylethanamine has a molecular weight of 284.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-piperazin-1-ylethanamine is sourced from PubChem (CID 82094058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).