1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride

C12H17BrClFN2 — CID 171182257

IUPAC1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCl.FC[C@@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C12H16BrFN2.ClH/c13-11-4-2-1-3-10(11)12(9-14)16-7-5-15-6-8-16;/h1-4,12,15H,5-9H2;1H/t12-;/m0./s1
InChIKeyGZGCMFZDCZDDKT-YDALLXLXSA-N
MW323.64 g/mol
LogP2.79
Rot. Bonds3

About 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride

1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride (PubChem CID 171182257) has the molecular formula C12H17BrClFN2 and a molecular weight of 323.64 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
PubChem CID171182257
Molecular FormulaC12H17BrClFN2
Molecular Weight323.64 g/mol
Exact Mass322.02
IUPAC Name1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCl.FC[C@@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C12H16BrFN2.ClH/c13-11-4-2-1-3-10(11)12(9-14)16-7-5-15-6-8-16;/h1-4,12,15H,5-9H2;1H/t12-;/m0./s1
InChIKeyGZGCMFZDCZDDKT-YDALLXLXSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1R)-1-(2-bromophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171285069
1-[(1S)-1-(2-bromophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171162714
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171285088
2-bromo-6-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171181780
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1S)-1-(2-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181808
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride (CID 171182257) is 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride is Cl.FC[C@@H](c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride?
The InChIKey is GZGCMFZDCZDDKT-YDALLXLXSA-N. The full InChI is InChI=1S/C12H16BrFN2.ClH/c13-11-4-2-1-3-10(11)12(9-14)16-7-5-15-6-8-16;/h1-4,12,15H,5-9H2;1H/t12-;/m0./s1.
What are the key properties of 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride?
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride has a molecular weight of 323.64 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).