1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine

C16H21F3N2O — CID 171291836

IUPAC1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-2-3-4-15(21-11-9-20-10-12-21)13-5-7-14(8-6-13)22-16(17,18)19/h2,5-8,15,20H,1,3-4,9-12H2/t15-/m1/s1
InChIKeyUDONDAFZDFRNSV-OAHLLOKOSA-N
MW314.35 g/mol
LogP3.50
Rot. Bonds6

About 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine

1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine (PubChem CID 171291836) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
PubChem CID171291836
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-2-3-4-15(21-11-9-20-10-12-21)13-5-7-14(8-6-13)22-16(17,18)19/h2,5-8,15,20H,1,3-4,9-12H2/t15-/m1/s1
InChIKeyUDONDAFZDFRNSV-OAHLLOKOSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171279214
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171170883
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
2-[(1S)-1-piperazin-1-ylpent-4-enyl]-4-(trifluoromethoxy)phenol;dihydrochloride
CID 171280511
(4R)-4-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]butan-1-ol;hydrochloride
CID 171173829
trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine (CID 171291836) is 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine is C=CCC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine?
The InChIKey is UDONDAFZDFRNSV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-2-3-4-15(21-11-9-20-10-12-21)13-5-7-14(8-6-13)22-16(17,18)19/h2,5-8,15,20H,1,3-4,9-12H2/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine?
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine has a molecular weight of 314.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine is sourced from PubChem (CID 171291836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).