1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine

C14H20BrFN2 — CID 116829830

IUPAC1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine
SMILESCC(C)(CN1CCNCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2/c1-14(2,10-18-7-5-17-6-8-18)12-9-11(15)3-4-13(12)16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyNEXNLFCQWMIMDL-UHFFFAOYSA-N
MW315.23 g/mol
LogP2.77
Rot. Bonds3

About 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine

1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine (PubChem CID 116829830) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine
PubChem CID116829830
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine
SMILESCC(C)(CN1CCNCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2/c1-14(2,10-18-7-5-17-6-8-18)12-9-11(15)3-4-13(12)16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyNEXNLFCQWMIMDL-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]piperazine
CID 116840464
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 82263442
1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 82305165
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263447
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 120834328
1-[(1S)-1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302451
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine (CID 116829830) is 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine is CC(C)(CN1CCNCC1)c1cc(Br)ccc1F.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine?
The InChIKey is NEXNLFCQWMIMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-14(2,10-18-7-5-17-6-8-18)12-9-11(15)3-4-13(12)16/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine?
1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine has a molecular weight of 315.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine is sourced from PubChem (CID 116829830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).