1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine

C11H20F3N3 — CID 115101253

IUPAC1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
SMILESCN1CCC(N2CCNCC2C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-16-5-2-9(3-6-16)17-7-4-15-8-10(17)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyUKTDKTRTHYPYLB-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.92
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine

1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101253) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101253
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
SMILESCN1CCC(N2CCNCC2C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-16-5-2-9(3-6-16)17-7-4-15-8-10(17)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyUKTDKTRTHYPYLB-UHFFFAOYSA-N
XLogP0.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
CID 130763014
1-(1-methylpiperidin-4-yl)-2-propan-2-ylpiperazine
CID 64937467
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide
CID 115101285
1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine
CID 115101352
1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine
CID 115101290
1-(1-methylpyrrolidin-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101666
3-[2-(trifluoromethyl)-1,4-diazepan-1-yl]thiane 1,1-dioxide
CID 115101656
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
CID 115101353

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine (CID 115101253) is 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine is CN1CCC(N2CCNCC2C(F)(F)F)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is UKTDKTRTHYPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-16-5-2-9(3-6-16)17-7-4-15-8-10(17)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine?
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 251.30 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).