1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine

C17H20F6N2 — CID 171293186

IUPAC1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C17H20F6N2/c1-11(2)9-15(25-7-5-24-6-8-25)13-4-3-12(16(18,19)20)10-14(13)17(21,22)23/h3-4,10,15,24H,1,5-9H2,2H3/t15-/m1/s1
InChIKeyGDYVJIONENKUTA-OAHLLOKOSA-N
MW366.35 g/mol
LogP4.64
Rot. Bonds4

About 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine

1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine (PubChem CID 171293186) has the molecular formula C17H20F6N2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine
PubChem CID171293186
Molecular FormulaC17H20F6N2
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC Name1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C17H20F6N2/c1-11(2)9-15(25-7-5-24-6-8-25)13-4-3-12(16(18,19)20)10-14(13)17(21,22)23/h3-4,10,15,24H,1,5-9H2,2H3/t15-/m1/s1
InChIKeyGDYVJIONENKUTA-OAHLLOKOSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine 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-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171279467
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292792
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171166855
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310345
1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
CID 171172090
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171166750
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine
CID 171291584
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171166735
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171166814
1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292740
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171280542
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171279192

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine (CID 171293186) is 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine is C=C(C)C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine?
The InChIKey is GDYVJIONENKUTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20F6N2/c1-11(2)9-15(25-7-5-24-6-8-25)13-4-3-12(16(18,19)20)10-14(13)17(21,22)23/h3-4,10,15,24H,1,5-9H2,2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine?
1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine has a molecular weight of 366.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine is sourced from PubChem (CID 171293186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).