1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride

C13H17ClF4N2 — CID 171170108

IUPAC1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride
SMILESCl.FCC[C@H](c1cc(F)cc(F)c1F)N1CCNCC1
InChIInChI=1S/C13H16F4N2.ClH/c14-2-1-12(19-5-3-18-4-6-19)10-7-9(15)8-11(16)13(10)17;/h7-8,12,18H,1-6H2;1H/t12-;/m1./s1
InChIKeyWXNGJMPQUUXKGB-UTONKHPSSA-N
MW312.74 g/mol
LogP2.83
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride

1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride (PubChem CID 171170108) has the molecular formula C13H17ClF4N2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride
PubChem CID171170108
Molecular FormulaC13H17ClF4N2
Molecular Weight312.74 g/mol
Exact Mass312.10
IUPAC Name1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride
SMILESCl.FCC[C@H](c1cc(F)cc(F)c1F)N1CCNCC1
InChIInChI=1S/C13H16F4N2.ClH/c14-2-1-12(19-5-3-18-4-6-19)10-7-9(15)8-11(16)13(10)17;/h7-8,12,18H,1-6H2;1H/t12-;/m1./s1
InChIKeyWXNGJMPQUUXKGB-UTONKHPSSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-4-methyl-1-(2,3,5-trifluorophenyl)pentyl]piperazine;dihydrochloride
CID 171310928
1-[(1R)-1-(2,3,5-trifluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307818
1-[(1S)-1-(2,3,5-trifluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309116
1-[(1R)-1-(2,3,5-trifluorophenyl)pentyl]piperazine
CID 171170039
1-[(1R)-1-(2,3,5-trifluorophenyl)hexyl]piperazine
CID 171170057
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
CID 171169905
1-[(1R)-1-(2,3,5-trifluorophenyl)hept-6-enyl]piperazine
CID 171170071
1-[(1S)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171164913
1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171170267
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride (CID 171170108) is 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride is Cl.FCC[C@H](c1cc(F)cc(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride?
The InChIKey is WXNGJMPQUUXKGB-UTONKHPSSA-N. The full InChI is InChI=1S/C13H16F4N2.ClH/c14-2-1-12(19-5-3-18-4-6-19)10-7-9(15)8-11(16)13(10)17;/h7-8,12,18H,1-6H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride?
1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride has a molecular weight of 312.74 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171170108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).