1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride

C13H18BrClF2N2 — CID 171174919

IUPAC1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C13H17BrF2N2.ClH/c14-11-4-2-1-3-10(11)12(9-13(15)16)18-7-5-17-6-8-18;/h1-4,12-13,17H,5-9H2;1H/t12-;/m1./s1
InChIKeyNZYJBRXUDHRWBY-UTONKHPSSA-N
MW355.65 g/mol
LogP3.47
Rot. Bonds4

About 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171174919) has the molecular formula C13H18BrClF2N2 and a molecular weight of 355.65 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171174919
Molecular FormulaC13H18BrClF2N2
Molecular Weight355.65 g/mol
Exact Mass354.03
IUPAC Name1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C13H17BrF2N2.ClH/c14-11-4-2-1-3-10(11)12(9-13(15)16)18-7-5-17-6-8-18;/h1-4,12-13,17H,5-9H2;1H/t12-;/m1./s1
InChIKeyNZYJBRXUDHRWBY-UTONKHPSSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
1-[(1R)-1-(3-bromo-2-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175772
1-[(1R)-1-(2-bromophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171285088
1-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1S)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178788
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
CID 171177405
1-[(1S)-1-(2-bromophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171162714
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175368
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
4-bromo-3-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol
CID 171179142
1-[(1R)-1-(2-bromophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171285069

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171174919) is 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride is Cl.FC(F)C[C@H](c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is NZYJBRXUDHRWBY-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17BrF2N2.ClH/c14-11-4-2-1-3-10(11)12(9-13(15)16)18-7-5-17-6-8-18;/h1-4,12-13,17H,5-9H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 355.65 g/mol, XLogP of 3.47, 4 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)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171174919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).