1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

C11H20F3N3 — CID 55142508

IUPAC1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2CCCN2)CC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)9-17-6-4-16(5-7-17)8-10-2-1-3-15-10/h10,15H,1-9H2
InChIKeyCCDCOZJZXSGVHD-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.92
Rot. Bonds3

About 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 55142508) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID55142508
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2CCCN2)CC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)9-17-6-4-16(5-7-17)8-10-2-1-3-15-10/h10,15H,1-9H2
InChIKeyCCDCOZJZXSGVHD-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

Analyze 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)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-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 114431092
2-(pyrrolidin-2-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814051
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 55142508) is 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CC2CCCN2)CC1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is CCDCOZJZXSGVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c12-11(13,14)9-17-6-4-16(5-7-17)8-10-2-1-3-15-10/h10,15H,1-9H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)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-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 55142508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).