5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine

C9H17F3N2 — CID 177002646

IUPAC5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC1CN(C(C)C)C(C(F)(F)F)CN1
InChIInChI=1S/C9H17F3N2/c1-6(2)14-5-7(3)13-4-8(14)9(10,11)12/h6-8,13H,4-5H2,1-3H3
InChIKeyAWKNIBUWWODYFC-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds1

About 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine

5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine (PubChem CID 177002646) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
PubChem CID177002646
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC1CN(C(C)C)C(C(F)(F)F)CN1
InChIInChI=1S/C9H17F3N2/c1-6(2)14-5-7(3)13-4-8(14)9(10,11)12/h6-8,13H,4-5H2,1-3H3
InChIKeyAWKNIBUWWODYFC-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-Tetramethylpiperazine
CID 521970
1-(4-Methylpiperazin-1-yl)propan-2-amine
CID 16643482
2-(Trifluoromethyl)piperazine
CID 18519725
1-(Butan-2-yl)piperazine
CID 2735696
1-(2-Diisopropylaminoethyl)piperazine
CID 2736173
1-sec-Butyl-piperazine hydrochloride
CID 16189617
1-(2-(1-Amino-2-propyl)aminoethyl)-2-methylpiperazine
CID 3086047
1-(2-(2-Amino-1-propyl)aminoethyl)-2-methylpiperazine
CID 3086048
1-(2-(2-Amino-1-propyl)aminoethyl)-3-methylpiperazine
CID 3086050
1,2-Propanediamine, N2-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156129
1,2-Propanediamine, N1-[2-(2-methyl-1-piperazinyl)ethyl]-
CID 21156130
1,2-Propanediamine, N1-[2-(3-methyl-1-piperazinyl)ethyl]-
CID 21156132

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The IUPAC name of 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine (CID 177002646) is 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine is CC1CN(C(C)C)C(C(F)(F)F)CN1.
What is the InChIKey of 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The InChIKey is AWKNIBUWWODYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-6(2)14-5-7(3)13-4-8(14)9(10,11)12/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 177002646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).