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

C11H14F3N3 — CID 68719907

IUPAC(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@H]1CN(c2ncccc2C(F)(F)F)CCN1
InChIInChI=1S/C11H14F3N3/c1-8-7-17(6-5-15-8)10-9(11(12,13)14)3-2-4-16-10/h2-4,8,15H,5-7H2,1H3/t8-/m0/s1
InChIKeyJEAHPTUMWGWDOJ-QMMMGPOBSA-N
MW245.25 g/mol
LogP1.90
Rot. Bonds1

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

(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 68719907) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID68719907
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@H]1CN(c2ncccc2C(F)(F)F)CCN1
InChIInChI=1S/C11H14F3N3/c1-8-7-17(6-5-15-8)10-9(11(12,13)14)3-2-4-16-10/h2-4,8,15H,5-7H2,1H3/t8-/m0/s1
InChIKeyJEAHPTUMWGWDOJ-QMMMGPOBSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 68719907) is (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine is C[C@H]1CN(c2ncccc2C(F)(F)F)CCN1.
What is the InChIKey of (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JEAHPTUMWGWDOJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-8-7-17(6-5-15-8)10-9(11(12,13)14)3-2-4-16-10/h2-4,8,15H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 245.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 68719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).