1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol

C9H17F3N2O2 — CID 65449828

IUPAC1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)7-16-6-8(15)5-14-3-1-13-2-4-14/h8,13,15H,1-7H2
InChIKeyICWBFBFMVNKMOM-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.17
Rot. Bonds5

About 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 65449828) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID65449828
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)7-16-6-8(15)5-14-3-1-13-2-4-14/h8,13,15H,1-7H2
InChIKeyICWBFBFMVNKMOM-UHFFFAOYSA-N
XLogP-0.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 65449828) is 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is ICWBFBFMVNKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c10-9(11,12)7-16-6-8(15)5-14-3-1-13-2-4-14/h8,13,15H,1-7H2.
What are the key properties of 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 242.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 65449828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).