1-(2,6-dibromophenyl)-3-phenylpiperazine

C16H16Br2N2 — CID 107603858

IUPAC1-(2,6-dibromophenyl)-3-phenylpiperazine
SMILESBrc1cccc(Br)c1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H16Br2N2/c17-13-7-4-8-14(18)16(13)20-10-9-19-15(11-20)12-5-2-1-3-6-12/h1-8,15,19H,9-11H2
InChIKeyDMNIWNHKWNEOEW-UHFFFAOYSA-N
MW396.13 g/mol
LogP4.36
Rot. Bonds2

About 1-(2,6-dibromophenyl)-3-phenylpiperazine

1-(2,6-dibromophenyl)-3-phenylpiperazine (PubChem CID 107603858) has the molecular formula C16H16Br2N2 and a molecular weight of 396.13 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)-3-phenylpiperazine
PubChem CID107603858
Molecular FormulaC16H16Br2N2
Molecular Weight396.13 g/mol
Exact Mass393.97
IUPAC Name1-(2,6-dibromophenyl)-3-phenylpiperazine
SMILESBrc1cccc(Br)c1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H16Br2N2/c17-13-7-4-8-14(18)16(13)20-10-9-19-15(11-20)12-5-2-1-3-6-12/h1-8,15,19H,9-11H2
InChIKeyDMNIWNHKWNEOEW-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.13
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
CID 107640112
1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64944507
1-chloro-3-phenylpiperazine
CID 18428014
1-(3-iodophenyl)-3-phenylpiperazine
CID 64926086
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
CID 16740447
1,3-diphenyl-1,4-diazepane
CID 64944093
3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139
1-(2,5-dibromophenyl)-3-phenyl-1,4-diazepane
CID 64943420
N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
CID 115379314
1-(2-methylsulfanylphenyl)-3-phenylpiperazine
CID 107646407
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
1-(2-chloro-6-methylphenyl)-3-phenyl-1,4-diazepane
CID 66254921

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)-3-phenylpiperazine?
The IUPAC name of 1-(2,6-dibromophenyl)-3-phenylpiperazine (CID 107603858) is 1-(2,6-dibromophenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2,6-dibromophenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(2,6-dibromophenyl)-3-phenylpiperazine is Brc1cccc(Br)c1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(2,6-dibromophenyl)-3-phenylpiperazine?
The InChIKey is DMNIWNHKWNEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2/c17-13-7-4-8-14(18)16(13)20-10-9-19-15(11-20)12-5-2-1-3-6-12/h1-8,15,19H,9-11H2.
What are the key properties of 1-(2,6-dibromophenyl)-3-phenylpiperazine?
1-(2,6-dibromophenyl)-3-phenylpiperazine has a molecular weight of 396.13 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)-3-phenylpiperazine is sourced from PubChem (CID 107603858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).