1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine

C11H20F3N3 — CID 115101353

IUPAC1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CCN1CCCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)10-9-15-3-6-17(10)8-7-16-4-1-2-5-16/h10,15H,1-9H2
InChIKeyHLNUEQHXSSVKTP-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.92
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine

1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101353) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
PubChem CID115101353
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CCN1CCCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)10-9-15-3-6-17(10)8-7-16-4-1-2-5-16/h10,15H,1-9H2
InChIKeyHLNUEQHXSSVKTP-UHFFFAOYSA-N
XLogP0.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-methyl-4-[2-[2-(trifluoromethyl)piperazin-1-yl]ethyl]piperazine
CID 115101352
2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
CID 115101625
(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82755408
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242419
1-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)-1,4-diazepane
CID 115101680
1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
2-[[2-(trifluoromethyl)-1,4-diazepan-1-yl]methyl]phenol
CID 115101714
3-[[2-(trifluoromethyl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 115101257
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-(thiolan-2-ylmethyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101678

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine (CID 115101353) is 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine?
The InChIKey is HLNUEQHXSSVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c12-11(13,14)10-9-15-3-6-17(10)8-7-16-4-1-2-5-16/h10,15H,1-9H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine?
1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine has a molecular weight of 251.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).