1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

C14H18ClF5N2 — CID 171166070

IUPAC1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCl.FCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H17F5N2.ClH/c15-4-3-13(21-7-5-20-6-8-21)11-9-10(16)1-2-12(11)14(17,18)19;/h1-2,9,13,20H,3-8H2;1H/t13-;/m0./s1
InChIKeyPQNRUFAJGFCZPY-ZOWNYOTGSA-N
MW344.76 g/mol
LogP3.57
Rot. Bonds4

About 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171166070) has the molecular formula C14H18ClF5N2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
PubChem CID171166070
Molecular FormulaC14H18ClF5N2
Molecular Weight344.76 g/mol
Exact Mass344.11
IUPAC Name1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCl.FCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H17F5N2.ClH/c15-4-3-13(21-7-5-20-6-8-21)11-9-10(16)1-2-12(11)14(17,18)19;/h1-2,9,13,20H,3-8H2;1H/t13-;/m0./s1
InChIKeyPQNRUFAJGFCZPY-ZOWNYOTGSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)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)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171171513
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171166176
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279886
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
1-[(1R)-3-fluoro-1-[2-fluoro-3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170871
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171170804
1-[(1S)-3-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171165308
1-[(1S)-3-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166395
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311061

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (CID 171166070) is 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is Cl.FCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The InChIKey is PQNRUFAJGFCZPY-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H17F5N2.ClH/c15-4-3-13(21-7-5-20-6-8-21)11-9-10(16)1-2-12(11)14(17,18)19;/h1-2,9,13,20H,3-8H2;1H/t13-;/m0./s1.
What are the key properties of 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 344.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171166070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).