[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

C13H18F3NO2 — CID 129372379

IUPAC[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)12(19)6-8-17(9-7-12)11(18)10-4-2-1-3-5-10/h1-2,10,19H,3-9H2/t10-/m0/s1
InChIKeyONXKUILUAVCPTE-JTQLQIEISA-N
MW277.29 g/mol
LogP2.26
Rot. Bonds1

About [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 129372379) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID129372379
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)12(19)6-8-17(9-7-12)11(18)10-4-2-1-3-5-10/h1-2,10,19H,3-9H2/t10-/m0/s1
InChIKeyONXKUILUAVCPTE-JTQLQIEISA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 129372379) is [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is O=C([C@H]1CC=CCC1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ONXKUILUAVCPTE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18F3NO2/c14-13(15,16)12(19)6-8-17(9-7-12)11(18)10-4-2-1-3-5-10/h1-2,10,19H,3-9H2/t10-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 277.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129372379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).