1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine

C15H19F3N2 — CID 134862077

IUPAC1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine
SMILESCN1CCN([C@H](/C=C/c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2/c1-19-9-11-20(12-10-19)14(15(16,17)18)8-7-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/b8-7+/t14-/m1/s1
InChIKeySJOALUVVMRZGPI-HSBSLETESA-N
MW284.33 g/mol
LogP2.88
Rot. Bonds3

About 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine

1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine (PubChem CID 134862077) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine
PubChem CID134862077
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine
SMILESCN1CCN([C@H](/C=C/c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2/c1-19-9-11-20(12-10-19)14(15(16,17)18)8-7-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/b8-7+/t14-/m1/s1
InChIKeySJOALUVVMRZGPI-HSBSLETESA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine (CID 134862077) is 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine is CN1CCN([C@H](/C=C/c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine?
The InChIKey is SJOALUVVMRZGPI-HSBSLETESA-N. The full InChI is InChI=1S/C15H19F3N2/c1-19-9-11-20(12-10-19)14(15(16,17)18)8-7-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/b8-7+/t14-/m1/s1.
What are the key properties of 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine?
1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine has a molecular weight of 284.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]piperazine is sourced from PubChem (CID 134862077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).