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

C10H18F3N3O — CID 63705517

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CNCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-15-1-3-16(4-2-15)8-5-14-6-9(8)17/h8-9,14,17H,1-7H2
InChIKeyLMTLPSPQFYIQIS-UHFFFAOYSA-N
MW253.27 g/mol
LogP-0.50
Rot. Bonds2

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

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 63705517) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol
PubChem CID63705517
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CNCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-15-1-3-16(4-2-15)8-5-14-6-9(8)17/h8-9,14,17H,1-7H2
InChIKeyLMTLPSPQFYIQIS-UHFFFAOYSA-N
XLogP-0.50
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol (CID 63705517) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol is OC1CNCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is LMTLPSPQFYIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-15-1-3-16(4-2-15)8-5-14-6-9(8)17/h8-9,14,17H,1-7H2.
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 253.27 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 63705517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).