1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride

C16H25Cl2F3N2 — CID 171309199

IUPAC1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccccc1C(F)(F)F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23F3N2.2ClH/c1-2-3-8-15(21-11-9-20-10-12-21)13-6-4-5-7-14(13)16(17,18)19;;/h4-7,15,20H,2-3,8-12H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyFMBYAQOTKVQYNE-CKUXDGONSA-N
MW373.29 g/mol
LogP4.69
Rot. Bonds5

About 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride

1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride (PubChem CID 171309199) has the molecular formula C16H25Cl2F3N2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
PubChem CID171309199
Molecular FormulaC16H25Cl2F3N2
Molecular Weight373.29 g/mol
Exact Mass372.13
IUPAC Name1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccccc1C(F)(F)F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23F3N2.2ClH/c1-2-3-8-15(21-11-9-20-10-12-21)13-6-4-5-7-14(13)16(17,18)19;;/h4-7,15,20H,2-3,8-12H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyFMBYAQOTKVQYNE-CKUXDGONSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171173694
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171171554
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171166176
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166305
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309256
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride (CID 171309199) is 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1ccccc1C(F)(F)F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride?
The InChIKey is FMBYAQOTKVQYNE-CKUXDGONSA-N. The full InChI is InChI=1S/C16H23F3N2.2ClH/c1-2-3-8-15(21-11-9-20-10-12-21)13-6-4-5-7-14(13)16(17,18)19;;/h4-7,15,20H,2-3,8-12H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride?
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride has a molecular weight of 373.29 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171309199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).