1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride

C12H15Cl4FN2 — CID 171182779

IUPAC1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
SMILESCl.FC[C@@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl3FN2.ClH/c13-8-5-9(12(15)10(14)6-8)11(7-16)18-3-1-17-2-4-18;/h5-6,11,17H,1-4,7H2;1H/t11-;/m0./s1
InChIKeyLARPXBJLDKHITJ-MERQFXBCSA-N
MW348.08 g/mol
LogP3.98
Rot. Bonds3

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

1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 171182779) has the molecular formula C12H15Cl4FN2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
PubChem CID171182779
Molecular FormulaC12H15Cl4FN2
Molecular Weight348.08 g/mol
Exact Mass346.00
IUPAC Name1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
SMILESCl.FC[C@@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl3FN2.ClH/c13-8-5-9(12(15)10(14)6-8)11(7-16)18-3-1-17-2-4-18;/h5-6,11,17H,1-4,7H2;1H/t11-;/m0./s1
InChIKeyLARPXBJLDKHITJ-MERQFXBCSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-piperazin-1-yl-3-(2,3,5-trichlorophenyl)propan-1-ol;hydrochloride
CID 171189293
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
1-[(1S)-4-methyl-1-(2,3,5-trichlorophenyl)pentyl]piperazine
CID 171310469
1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171308316
1-[(1S)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309614
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
4-chloro-2-fluoro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299645
4-chloro-2-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171272111
2-bromo-4-chloro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171298165
2-bromo-4-chloro-6-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171300644
1-[(1R)-2,2-dimethyl-1-(2,3,5-trichlorophenyl)propyl]piperazine;dihydrochloride
CID 171295326

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride (CID 171182779) is 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride is Cl.FC[C@@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is LARPXBJLDKHITJ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H14Cl3FN2.ClH/c13-8-5-9(12(15)10(14)6-8)11(7-16)18-3-1-17-2-4-18;/h5-6,11,17H,1-4,7H2;1H/t11-;/m0./s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 348.08 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).