5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol

C11H21F3N2O — CID 55140389

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
SMILESCC(O)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-10(17)3-2-4-15-5-7-16(8-6-15)9-11(12,13)14/h10,17H,2-9H2,1H3
InChIKeyHSNGISMOGGCNLY-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.33
Rot. Bonds5

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol (PubChem CID 55140389) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
PubChem CID55140389
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
SMILESCC(O)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-10(17)3-2-4-15-5-7-16(8-6-15)9-11(12,13)14/h10,17H,2-9H2,1H3
InChIKeyHSNGISMOGGCNLY-UHFFFAOYSA-N
XLogP1.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol (CID 55140389) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol is CC(O)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The InChIKey is HSNGISMOGGCNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(17)3-2-4-15-5-7-16(8-6-15)9-11(12,13)14/h10,17H,2-9H2,1H3.
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol is sourced from PubChem (CID 55140389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).