1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine

C16H23F3N2 — CID 171162894

IUPAC1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-2-3-4-15(21-11-9-20-10-12-21)13-5-7-14(8-6-13)16(17,18)19/h5-8,15,20H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyBOEKGNNJKMOBJO-HNNXBMFYSA-N
MW300.37 g/mol
LogP3.84
Rot. Bonds5

About 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine

1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine (PubChem CID 171162894) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
PubChem CID171162894
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-2-3-4-15(21-11-9-20-10-12-21)13-5-7-14(8-6-13)16(17,18)19/h5-8,15,20H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyBOEKGNNJKMOBJO-HNNXBMFYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[1-[3-(trifluoromethyl)phenyl]pentyl]-1,4-diazepane
CID 4210350
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171169221
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309239

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine (CID 171162894) is 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine is CCCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine?
The InChIKey is BOEKGNNJKMOBJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-3-4-15(21-11-9-20-10-12-21)13-5-7-14(8-6-13)16(17,18)19/h5-8,15,20H,2-4,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine?
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine is sourced from PubChem (CID 171162894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).