1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine

C16H22BrFN2 — CID 171168696

IUPAC1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
SMILESFc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1Br
InChIInChI=1S/C16H22BrFN2/c17-14-11-13(5-6-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m1/s1
InChIKeyBPBPTVJFYFJENK-MRXNPFEDSA-N
MW341.27 g/mol
LogP3.72
Rot. Bonds3

About 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine

1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine (PubChem CID 171168696) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
PubChem CID171168696
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
SMILESFc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1Br
InChIInChI=1S/C16H22BrFN2/c17-14-11-13(5-6-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m1/s1
InChIKeyBPBPTVJFYFJENK-MRXNPFEDSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
CID 171291434

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine (CID 171168696) is 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine is Fc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1Br.
What is the InChIKey of 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine?
The InChIKey is BPBPTVJFYFJENK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22BrFN2/c17-14-11-13(5-6-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m1/s1.
What are the key properties of 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine?
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine has a molecular weight of 341.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171168696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).