1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine

C12H18F3N3 — CID 129060005

IUPAC1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine
SMILESCC1=NC(N2CCN(C)CC2)CC=C1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-9-10(12(13,14)15)3-4-11(16-9)18-7-5-17(2)6-8-18/h3,11H,4-8H2,1-2H3
InChIKeyFWAMIRJZUOXYMN-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.91
Rot. Bonds1

About 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine

1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine (PubChem CID 129060005) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine
PubChem CID129060005
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine
SMILESCC1=NC(N2CCN(C)CC2)CC=C1C(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-9-10(12(13,14)15)3-4-11(16-9)18-7-5-17(2)6-8-18/h3,11H,4-8H2,1-2H3
InChIKeyFWAMIRJZUOXYMN-UHFFFAOYSA-N
XLogP1.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine (CID 129060005) is 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine is CC1=NC(N2CCN(C)CC2)CC=C1C(F)(F)F.
What is the InChIKey of 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine?
The InChIKey is FWAMIRJZUOXYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9-10(12(13,14)15)3-4-11(16-9)18-7-5-17(2)6-8-18/h3,11H,4-8H2,1-2H3.
What are the key properties of 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine?
1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine has a molecular weight of 261.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-methyl-5-(trifluoromethyl)-2,3-dihydropyridin-2-yl]piperazine is sourced from PubChem (CID 129060005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).