(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

C12H16F3N3 — CID 168510113

IUPAC(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESC[C@H]1CNCCN1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3/c1-9-6-16-4-5-18(9)8-10-2-3-11(17-7-10)12(13,14)15/h2-3,7,9,16H,4-6,8H2,1H3/t9-/m0/s1
InChIKeyYNVHAVMSSGDUGG-VIFPVBQESA-N
MW259.27 g/mol
LogP1.89
Rot. Bonds2

About (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 168510113) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
PubChem CID168510113
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESC[C@H]1CNCCN1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3/c1-9-6-16-4-5-18(9)8-10-2-3-11(17-7-10)12(13,14)15/h2-3,7,9,16H,4-6,8H2,1H3/t9-/m0/s1
InChIKeyYNVHAVMSSGDUGG-VIFPVBQESA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (CID 168510113) is (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is C[C@H]1CNCCN1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is YNVHAVMSSGDUGG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3N3/c1-9-6-16-4-5-18(9)8-10-2-3-11(17-7-10)12(13,14)15/h2-3,7,9,16H,4-6,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 259.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 168510113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).