4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine

C16H20F11NO — CID 159206224

IUPAC4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
SMILESCC1CCN(C(F)C(F)(C2CCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1
InChIInChI=1S/C16H20F11NO/c1-8-4-6-28(7-5-8)12(18)13(19,16(25,26)27)9-2-3-10(29-9)14(20,21)11(17)15(22,23)24/h8-12H,2-7H2,1H3
InChIKeyADPLBKUYLUNKKU-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.37
Rot. Bonds5

About 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine

4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine (PubChem CID 159206224) has the molecular formula C16H20F11NO and a molecular weight of 451.32 g/mol. Its IUPAC name is 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
PubChem CID159206224
Molecular FormulaC16H20F11NO
Molecular Weight451.32 g/mol
Exact Mass451.14
IUPAC Name4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
SMILESCC1CCN(C(F)C(F)(C2CCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1
InChIInChI=1S/C16H20F11NO/c1-8-4-6-28(7-5-8)12(18)13(19,16(25,26)27)9-2-3-10(29-9)14(20,21)11(17)15(22,23)24/h8-12H,2-7H2,1H3
InChIKeyADPLBKUYLUNKKU-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?
The IUPAC name of 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine (CID 159206224) is 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine.
What is the SMILES notation for 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?
The canonical SMILES for 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine is CC1CCN(C(F)C(F)(C2CCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?
The InChIKey is ADPLBKUYLUNKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F11NO/c1-8-4-6-28(7-5-8)12(18)13(19,16(25,26)27)9-2-3-10(29-9)14(20,21)11(17)15(22,23)24/h8-12H,2-7H2,1H3.
What are the key properties of 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?
4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine has a molecular weight of 451.32 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine is sourced from PubChem (CID 159206224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).