oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C12H18F3NO2 — CID 129397326

IUPACoxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10-2-1-5-16(8-10)11(17)9-3-6-18-7-4-9/h9-10H,1-8H2/t10-/m1/s1
InChIKeyFSLJBEDJJHXOLN-SNVBAGLBSA-N
MW265.27 g/mol
LogP2.21
Rot. Bonds1

About oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 129397326) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID129397326
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Nameoxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10-2-1-5-16(8-10)11(17)9-3-6-18-7-4-9/h9-10H,1-8H2/t10-/m1/s1
InChIKeyFSLJBEDJJHXOLN-SNVBAGLBSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 129397326) is oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is FSLJBEDJJHXOLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)10-2-1-5-16(8-10)11(17)9-3-6-18-7-4-9/h9-10H,1-8H2/t10-/m1/s1.
What are the key properties of oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 265.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129397326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).