2-methyl-1-(3,3,3-trifluoropropyl)piperazine

C8H15F3N2 — CID 64565894

IUPAC2-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CNCCN1CCC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7-6-12-3-5-13(7)4-2-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyUBRMHZWDKPLNOM-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds2

About 2-methyl-1-(3,3,3-trifluoropropyl)piperazine

2-methyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64565894) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-methyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64565894
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CNCCN1CCC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7-6-12-3-5-13(7)4-2-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyUBRMHZWDKPLNOM-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
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(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
CID 65250987
2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
CID 174972322
(2S)-2-methyl-1-pent-3-ynylpiperazine
CID 104809127
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82755408
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
CID 120837084
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64565894) is 2-methyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-methyl-1-(3,3,3-trifluoropropyl)piperazine is CC1CNCCN1CCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is UBRMHZWDKPLNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7-6-12-3-5-13(7)4-2-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
2-methyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 196.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64565894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).