1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine

C20H23F3N2O — CID 171165897

IUPAC1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
SMILESFC(F)(F)CC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)11-10-19(25-14-12-24-13-15-25)16-6-8-18(9-7-16)26-17-4-2-1-3-5-17/h1-9,19,24H,10-15H2/t19-/m0/s1
InChIKeyZZWXGDVHCQBMHR-IBGZPJMESA-N
MW364.41 g/mol
LogP4.77
Rot. Bonds6

About 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine

1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine (PubChem CID 171165897) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
PubChem CID171165897
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
SMILESFC(F)(F)CC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)11-10-19(25-14-12-24-13-15-25)16-6-8-18(9-7-16)26-17-4-2-1-3-5-17/h1-9,19,24H,10-15H2/t19-/m0/s1
InChIKeyZZWXGDVHCQBMHR-IBGZPJMESA-N
XLogP4.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
CID 171309305
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308008
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine
CID 171176906
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine (CID 171165897) is 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine is FC(F)(F)CC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine?
The InChIKey is ZZWXGDVHCQBMHR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)11-10-19(25-14-12-24-13-15-25)16-6-8-18(9-7-16)26-17-4-2-1-3-5-17/h1-9,19,24H,10-15H2/t19-/m0/s1.
What are the key properties of 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine?
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine has a molecular weight of 364.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171165897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).