(2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine

C12H18F3N3 — CID 135160289

IUPAC(2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine
SMILESC[C@@H]1CNCCN1C1C=CC(C(F)(F)F)=CN1C
InChIInChI=1S/C12H18F3N3/c1-9-7-16-5-6-18(9)11-4-3-10(8-17(11)2)12(13,14)15/h3-4,8-9,11,16H,5-7H2,1-2H3/t9-,11?/m1/s1
InChIKeyVOTCOJUUIHWGHY-BFHBGLAWSA-N
MW261.29 g/mol
LogP1.55
Rot. Bonds1

About (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine

(2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine (PubChem CID 135160289) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine
PubChem CID135160289
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name(2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine
SMILESC[C@@H]1CNCCN1C1C=CC(C(F)(F)F)=CN1C
InChIInChI=1S/C12H18F3N3/c1-9-7-16-5-6-18(9)11-4-3-10(8-17(11)2)12(13,14)15/h3-4,8-9,11,16H,5-7H2,1-2H3/t9-,11?/m1/s1
InChIKeyVOTCOJUUIHWGHY-BFHBGLAWSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine (CID 135160289) is (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine is C[C@@H]1CNCCN1C1C=CC(C(F)(F)F)=CN1C.
What is the InChIKey of (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine?
The InChIKey is VOTCOJUUIHWGHY-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9-7-16-5-6-18(9)11-4-3-10(8-17(11)2)12(13,14)15/h3-4,8-9,11,16H,5-7H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine?
(2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine has a molecular weight of 261.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]piperazine is sourced from PubChem (CID 135160289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).