1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol

C8H15F3N2O2 — CID 118166098

IUPAC1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol
SMILESOC(COC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)15-6-7(14)5-13-3-1-12-2-4-13/h7,12,14H,1-6H2
InChIKeyFCVDIJVPQGRQQU-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.21
Rot. Bonds4

About 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol

1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol (PubChem CID 118166098) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol
PubChem CID118166098
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol
SMILESOC(COC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)15-6-7(14)5-13-3-1-12-2-4-13/h7,12,14H,1-6H2
InChIKeyFCVDIJVPQGRQQU-UHFFFAOYSA-N
XLogP-0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol (CID 118166098) is 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol is OC(COC(F)(F)F)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol?
The InChIKey is FCVDIJVPQGRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)15-6-7(14)5-13-3-1-12-2-4-13/h7,12,14H,1-6H2.
What are the key properties of 1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol?
1-piperazin-1-yl-3-(trifluoromethoxy)propan-2-ol has a molecular weight of 228.21 g/mol, XLogP of -0.21, 4 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-(trifluoromethoxy)propan-2-ol is sourced from PubChem (CID 118166098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).