[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

C15H25F3N2O2 — CID 56779913

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O2/c1-11(21)10-19-5-7-20(8-6-19)14(22)12-3-2-4-13(9-12)15(16,17)18/h11-13,21H,2-10H2,1H3
InChIKeyLCWTZAMWGPEHGA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.88
Rot. Bonds3

About [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 56779913) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID56779913
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O2/c1-11(21)10-19-5-7-20(8-6-19)14(22)12-3-2-4-13(9-12)15(16,17)18/h11-13,21H,2-10H2,1H3
InChIKeyLCWTZAMWGPEHGA-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone (CID 56779913) is [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone is CC(O)CN1CCN(C(=O)C2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is LCWTZAMWGPEHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-11(21)10-19-5-7-20(8-6-19)14(22)12-3-2-4-13(9-12)15(16,17)18/h11-13,21H,2-10H2,1H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 322.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 56779913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).