(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine

C15H18F6N2 — CID 150641792

IUPAC(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine
SMILESC[C@@H]1CNC[C@H](C)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6N2/c1-9-6-22-7-10(2)23(9)8-11-3-12(14(16,17)18)5-13(4-11)15(19,20)21/h3-5,9-10,22H,6-8H2,1-2H3/t9-,10+
InChIKeyJABLVPNPKFMCAB-AOOOYVTPSA-N
MW340.31 g/mol
LogP3.91
Rot. Bonds2

About (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine

(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine (PubChem CID 150641792) has the molecular formula C15H18F6N2 and a molecular weight of 340.31 g/mol. Its IUPAC name is (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine
PubChem CID150641792
Molecular FormulaC15H18F6N2
Molecular Weight340.31 g/mol
Exact Mass340.14
IUPAC Name(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine
SMILESC[C@@H]1CNC[C@H](C)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6N2/c1-9-6-22-7-10(2)23(9)8-11-3-12(14(16,17)18)5-13(4-11)15(19,20)21/h3-5,9-10,22H,6-8H2,1-2H3/t9-,10+
InChIKeyJABLVPNPKFMCAB-AOOOYVTPSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine?
The IUPAC name of (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine (CID 150641792) is (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine.
What is the SMILES notation for (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine?
The canonical SMILES for (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine is C[C@@H]1CNC[C@H](C)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine?
The InChIKey is JABLVPNPKFMCAB-AOOOYVTPSA-N. The full InChI is InChI=1S/C15H18F6N2/c1-9-6-22-7-10(2)23(9)8-11-3-12(14(16,17)18)5-13(4-11)15(19,20)21/h3-5,9-10,22H,6-8H2,1-2H3/t9-,10+.
What are the key properties of (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine?
(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine has a molecular weight of 340.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 150641792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).