1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride

C15H16ClF3N2O — CID 171177233

IUPAC1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cc(F)c([C@@H](c2ccco2)N2CCNCC2)cc1F
InChIInChI=1S/C15H15F3N2O.ClH/c16-11-9-13(18)12(17)8-10(11)15(14-2-1-7-21-14)20-5-3-19-4-6-20;/h1-2,7-9,15,19H,3-6H2;1H/t15-;/m0./s1
InChIKeyNUFYRJKLKMQLTK-RSAXXLAASA-N
MW332.75 g/mol
LogP3.11
Rot. Bonds3

About 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride

1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 171177233) has the molecular formula C15H16ClF3N2O and a molecular weight of 332.75 g/mol. Its IUPAC name is 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
PubChem CID171177233
Molecular FormulaC15H16ClF3N2O
Molecular Weight332.75 g/mol
Exact Mass332.09
IUPAC Name1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cc(F)c([C@@H](c2ccco2)N2CCNCC2)cc1F
InChIInChI=1S/C15H15F3N2O.ClH/c16-11-9-13(18)12(17)8-10(11)15(14-2-1-7-21-14)20-5-3-19-4-6-20;/h1-2,7-9,15,19H,3-6H2;1H/t15-;/m0./s1
InChIKeyNUFYRJKLKMQLTK-RSAXXLAASA-N
XLogP3.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
CID 171175035
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353
1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(R)-thiophen-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine
CID 171180610
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride (CID 171177233) is 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1cc(F)c([C@@H](c2ccco2)N2CCNCC2)cc1F.
What is the InChIKey of 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is NUFYRJKLKMQLTK-RSAXXLAASA-N. The full InChI is InChI=1S/C15H15F3N2O.ClH/c16-11-9-13(18)12(17)8-10(11)15(14-2-1-7-21-14)20-5-3-19-4-6-20;/h1-2,7-9,15,19H,3-6H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride?
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 332.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171177233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).