1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine

C16H23BrF2N2 — CID 171170472

IUPAC1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1c(F)cc(Br)cc1F)N1CCNCC1
InChIInChI=1S/C16H23BrF2N2/c1-3-4-11(2)16(21-7-5-20-6-8-21)15-13(18)9-12(17)10-14(15)19/h9-11,16,20H,3-8H2,1-2H3/t11?,16-/m1/s1
InChIKeyOPZMZQYWHLNNNC-WVQRXBFSSA-N
MW361.27 g/mol
LogP4.11
Rot. Bonds5

About 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine

1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine (PubChem CID 171170472) has the molecular formula C16H23BrF2N2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
PubChem CID171170472
Molecular FormulaC16H23BrF2N2
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1c(F)cc(Br)cc1F)N1CCNCC1
InChIInChI=1S/C16H23BrF2N2/c1-3-4-11(2)16(21-7-5-20-6-8-21)15-13(18)9-12(17)10-14(15)19/h9-11,16,20H,3-8H2,1-2H3/t11?,16-/m1/s1
InChIKeyOPZMZQYWHLNNNC-WVQRXBFSSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
CID 171169865
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171171899
1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168949
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
CID 171173226
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170523
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171170440
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171166423
1-[(1S)-1-(4-bromo-2,6-difluorophenyl)-3-fluoropropyl]piperazine
CID 171165155

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine (CID 171170472) is 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine is CCCC(C)[C@H](c1c(F)cc(Br)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine?
The InChIKey is OPZMZQYWHLNNNC-WVQRXBFSSA-N. The full InChI is InChI=1S/C16H23BrF2N2/c1-3-4-11(2)16(21-7-5-20-6-8-21)15-13(18)9-12(17)10-14(15)19/h9-11,16,20H,3-8H2,1-2H3/t11?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine?
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine has a molecular weight of 361.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine is sourced from PubChem (CID 171170472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).