1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine

C11H13BrF2N2 — CID 117470195

IUPAC1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
SMILESFc1cc(Br)c(F)c(CN2CCNCC2)c1
InChIInChI=1S/C11H13BrF2N2/c12-10-6-9(13)5-8(11(10)14)7-16-3-1-15-2-4-16/h5-6,15H,1-4,7H2
InChIKeyZVGBTUDVAIMCII-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine

1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine (PubChem CID 117470195) has the molecular formula C11H13BrF2N2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
PubChem CID117470195
Molecular FormulaC11H13BrF2N2
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
SMILESFc1cc(Br)c(F)c(CN2CCNCC2)c1
InChIInChI=1S/C11H13BrF2N2/c12-10-6-9(13)5-8(11(10)14)7-16-3-1-15-2-4-16/h5-6,15H,1-4,7H2
InChIKeyZVGBTUDVAIMCII-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]piperazine
CID 117492577
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-[(3-chloro-5-ethyl-2-fluorophenyl)methyl]piperazine
CID 117395459
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine (CID 117470195) is 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine is Fc1cc(Br)c(F)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine?
The InChIKey is ZVGBTUDVAIMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2/c12-10-6-9(13)5-8(11(10)14)7-16-3-1-15-2-4-16/h5-6,15H,1-4,7H2.
What are the key properties of 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine?
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine has a molecular weight of 291.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 117470195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).