3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol

C11H19F3N2O — CID 83960337

IUPAC3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESOC1(C(F)(F)F)CCC(CN2CCNCC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(17)2-1-9(7-10)8-16-5-3-15-4-6-16/h9,15,17H,1-8H2
InChIKeyLRILNZCUOPQXGB-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.99
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol

3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 83960337) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID83960337
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESOC1(C(F)(F)F)CCC(CN2CCNCC2)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(17)2-1-9(7-10)8-16-5-3-15-4-6-16/h9,15,17H,1-8H2
InChIKeyLRILNZCUOPQXGB-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol (CID 83960337) is 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol is OC1(C(F)(F)F)CCC(CN2CCNCC2)C1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is LRILNZCUOPQXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)10(17)2-1-9(7-10)8-16-5-3-15-4-6-16/h9,15,17H,1-8H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 252.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 83960337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).