(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine

C14H16F6N2 — CID 95656913

IUPAC(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6N2/c1-9-7-21-2-3-22(9)8-10-4-11(13(15,16)17)6-12(5-10)14(18,19)20/h4-6,9,21H,2-3,7-8H2,1H3/t9-/m1/s1
InChIKeyIQWLVBMZMPTXIJ-SECBINFHSA-N
MW326.28 g/mol
LogP3.52
Rot. Bonds2

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

(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine (PubChem CID 95656913) has the molecular formula C14H16F6N2 and a molecular weight of 326.28 g/mol. Its IUPAC name is (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
PubChem CID95656913
Molecular FormulaC14H16F6N2
Molecular Weight326.28 g/mol
Exact Mass326.12
IUPAC Name(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6N2/c1-9-7-21-2-3-22(9)8-10-4-11(13(15,16)17)6-12(5-10)14(18,19)20/h4-6,9,21H,2-3,7-8H2,1H3/t9-/m1/s1
InChIKeyIQWLVBMZMPTXIJ-SECBINFHSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine (CID 95656913) is (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
The InChIKey is IQWLVBMZMPTXIJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F6N2/c1-9-7-21-2-3-22(9)8-10-4-11(13(15,16)17)6-12(5-10)14(18,19)20/h4-6,9,21H,2-3,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine?
(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine has a molecular weight of 326.28 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine is sourced from PubChem (CID 95656913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).