1-[bis(3-bromophenyl)methyl]piperazine

C17H18Br2N2 — CID 3761882

IUPAC1-[bis(3-bromophenyl)methyl]piperazine
SMILESBrc1cccc(C(c2cccc(Br)c2)N2CCNCC2)c1
InChIInChI=1S/C17H18Br2N2/c18-15-5-1-3-13(11-15)17(21-9-7-20-8-10-21)14-4-2-6-16(19)12-14/h1-6,11-12,17,20H,7-10H2
InChIKeyRTCOAKQEYGUOKI-UHFFFAOYSA-N
MW410.15 g/mol
LogP4.21
Rot. Bonds3

About 1-[bis(3-bromophenyl)methyl]piperazine

1-[bis(3-bromophenyl)methyl]piperazine (PubChem CID 3761882) has the molecular formula C17H18Br2N2 and a molecular weight of 410.15 g/mol. Its IUPAC name is 1-[bis(3-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[bis(3-bromophenyl)methyl]piperazine
PubChem CID3761882
Molecular FormulaC17H18Br2N2
Molecular Weight410.15 g/mol
Exact Mass407.98
IUPAC Name1-[bis(3-bromophenyl)methyl]piperazine
SMILESBrc1cccc(C(c2cccc(Br)c2)N2CCNCC2)c1
InChIInChI=1S/C17H18Br2N2/c18-15-5-1-3-13(11-15)17(21-9-7-20-8-10-21)14-4-2-6-16(19)12-14/h1-6,11-12,17,20H,7-10H2
InChIKeyRTCOAKQEYGUOKI-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3259924
1-[(3-bromophenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 3611704
1-[(3-bromophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3682200
1-[(3-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3830015
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171273311
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(3-bromophenyl)-(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 5091302
2-[(3-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3398080

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-bromophenyl)methyl]piperazine?
The IUPAC name of 1-[bis(3-bromophenyl)methyl]piperazine (CID 3761882) is 1-[bis(3-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-[bis(3-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-[bis(3-bromophenyl)methyl]piperazine is Brc1cccc(C(c2cccc(Br)c2)N2CCNCC2)c1.
What is the InChIKey of 1-[bis(3-bromophenyl)methyl]piperazine?
The InChIKey is RTCOAKQEYGUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2/c18-15-5-1-3-13(11-15)17(21-9-7-20-8-10-21)14-4-2-6-16(19)12-14/h1-6,11-12,17,20H,7-10H2.
What are the key properties of 1-[bis(3-bromophenyl)methyl]piperazine?
1-[bis(3-bromophenyl)methyl]piperazine has a molecular weight of 410.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-bromophenyl)methyl]piperazine is sourced from PubChem (CID 3761882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).