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

C13H23F3N2O — CID 62967738

IUPAC[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol
SMILESOCC1(CN2CCN(CC(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(11-19)3-1-2-4-12/h19H,1-11H2
InChIKeyJXZXQGAYUNOCNY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.72
Rot. Bonds4

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

[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol (PubChem CID 62967738) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol
PubChem CID62967738
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol
SMILESOCC1(CN2CCN(CC(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(11-19)3-1-2-4-12/h19H,1-11H2
InChIKeyJXZXQGAYUNOCNY-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol (CID 62967738) is [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol is OCC1(CN2CCN(CC(F)(F)F)CC2)CCCC1.
What is the InChIKey of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol?
The InChIKey is JXZXQGAYUNOCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(11-19)3-1-2-4-12/h19H,1-11H2.
What are the key properties of [1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol?
[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol 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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62967738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).