trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol

C11H19F3N2O — CID 94865662

IUPACtrans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-15-4-6-16(7-5-15)9-2-1-3-10(9)17/h9-10,17H,1-8H2/t9-,10-/m0/s1
InChIKeyPUSIJFQNZCAUEB-UWVGGRQHSA-N
MW252.28 g/mol
LogP1.08
Rot. Bonds2

About trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol

trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol (PubChem CID 94865662) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol
PubChem CID94865662
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Nametrans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-15-4-6-16(7-5-15)9-2-1-3-10(9)17/h9-10,17H,1-8H2/t9-,10-/m0/s1
InChIKeyPUSIJFQNZCAUEB-UWVGGRQHSA-N
XLogP1.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol (CID 94865662) is trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol?
The InChIKey is PUSIJFQNZCAUEB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-15-4-6-16(7-5-15)9-2-1-3-10(9)17/h9-10,17H,1-8H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol?
trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol has a molecular weight of 252.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 94865662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).