5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol

C11H20F3N3O — CID 66055179

IUPAC5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-17-3-1-16(2-4-17)7-9-5-10(18)6-15-9/h9-10,15,18H,1-8H2
InChIKeyFBQJJKKTOOGAEW-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.11
Rot. Bonds3

About 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol

5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 66055179) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID66055179
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1CNC(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-17-3-1-16(2-4-17)7-9-5-10(18)6-15-9/h9-10,15,18H,1-8H2
InChIKeyFBQJJKKTOOGAEW-UHFFFAOYSA-N
XLogP-0.11
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol (CID 66055179) is 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol is OC1CNC(CN2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FBQJJKKTOOGAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)8-17-3-1-16(2-4-17)7-9-5-10(18)6-15-9/h9-10,15,18H,1-8H2.
What are the key properties of 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 267.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).