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

C9H17F3N2O — CID 60703561

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-14-5-3-13(4-6-14)2-1-7-15/h15H,1-8H2
InChIKeyDRKWGCDJYKYCBB-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.55
Rot. Bonds4

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

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 60703561) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID60703561
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-14-5-3-13(4-6-14)2-1-7-15/h15H,1-8H2
InChIKeyDRKWGCDJYKYCBB-UHFFFAOYSA-N
XLogP0.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methyl-1-piperazine)propan-1-ol
CID 79208
1,4-Piperazinedipropanol
CID 261286
2-Fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 17980523
3-[4-(2-Fluoroethyl)piperazin-1-YL]propan-1-OL
CID 45115767
(2S)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 57350202
2-[4-(2,2-Difluoroethyl)piperazin-1-yl]ethanol
CID 62022864
(2R)-2-fluoro-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 69070198
4-[4-(2-Fluoroethyl)piperazin-1-yl]butan-1-ol
CID 87611861
1-Methyl-4-[3-(trifluoromethoxy)propyl]piperazine
CID 89986350
2,3,3,3-Tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol
CID 129188958
1-[4-(2-Fluoroethyl)piperazin-1-yl]propan-1-ol
CID 141072893
Ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol
CID 145338873

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (CID 60703561) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is OCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is DRKWGCDJYKYCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8-14-5-3-13(4-6-14)2-1-7-15/h15H,1-8H2.
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 60703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).