1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

C13H23F3N2O — CID 104752825

IUPAC1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CC(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(19)11-3-1-2-4-11/h11-12,19H,1-10H2
InChIKeyMOXZTYOEJVBXTP-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.72
Rot. Bonds4

About 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (PubChem CID 104752825) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
PubChem CID104752825
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CC(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(19)11-3-1-2-4-11/h11-12,19H,1-10H2
InChIKeyMOXZTYOEJVBXTP-UHFFFAOYSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (CID 104752825) is 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is OC(CN1CCN(CC(F)(F)F)CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is MOXZTYOEJVBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(19)11-3-1-2-4-11/h11-12,19H,1-10H2.
What are the key properties of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 280.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 104752825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).