1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride

C15H21ClF4N2O — CID 171165820

IUPAC1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
SMILESCC[C@@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.Cl
InChIInChI=1S/C15H20F4N2O.ClH/c1-2-12(21-9-7-20-8-10-21)11-5-3-4-6-13(11)22-15(18,19)14(16)17;/h3-6,12,14,20H,2,7-10H2,1H3;1H/t12-;/m0./s1
InChIKeyPXGXEPBJAXLSBF-YDALLXLXSA-N
MW356.79 g/mol
LogP3.70
Rot. Bonds6

About 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride

1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171165820) has the molecular formula C15H21ClF4N2O and a molecular weight of 356.79 g/mol. Its IUPAC name is 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
PubChem CID171165820
Molecular FormulaC15H21ClF4N2O
Molecular Weight356.79 g/mol
Exact Mass356.13
IUPAC Name1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride
SMILESCC[C@@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.Cl
InChIInChI=1S/C15H20F4N2O.ClH/c1-2-12(21-9-7-20-8-10-21)11-5-3-4-6-13(11)22-15(18,19)14(16)17;/h3-6,12,14,20H,2,7-10H2,1H3;1H/t12-;/m0./s1
InChIKeyPXGXEPBJAXLSBF-YDALLXLXSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]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

1-[(1R)-3,3,3-trifluoro-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171303826
1-[(1R)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171145
1-[(1S)-4-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171310278
(3S)-3-piperazin-1-yl-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol;hydrochloride
CID 171174568
1-[(1R)-2-cyclopropyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171292233
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine
CID 171279614
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601
1-[(1S)-3-methyl-1-[2-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171280487
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279645
1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176847

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride (CID 171165820) is 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride is CC[C@@H](c1ccccc1OC(F)(F)C(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride?
The InChIKey is PXGXEPBJAXLSBF-YDALLXLXSA-N. The full InChI is InChI=1S/C15H20F4N2O.ClH/c1-2-12(21-9-7-20-8-10-21)11-5-3-4-6-13(11)22-15(18,19)14(16)17;/h3-6,12,14,20H,2,7-10H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride?
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 356.79 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171165820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).