2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine

C18H27NO — CID 11482708

IUPAC2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine
SMILESCC1(C)CCCC(C)(C)N1OC/C=C/c1ccccc1
InChIInChI=1S/C18H27NO/c1-17(2)13-9-14-18(3,4)19(17)20-15-8-12-16-10-6-5-7-11-16/h5-8,10-12H,9,13-15H2,1-4H3/b12-8+
InChIKeyOXQGGLFISDLBJO-XYOKQWHBSA-N
MW273.42 g/mol
LogP4.67
Rot. Bonds4

About 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine

2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine (PubChem CID 11482708) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine
PubChem CID11482708
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine
SMILESCC1(C)CCCC(C)(C)N1OC/C=C/c1ccccc1
InChIInChI=1S/C18H27NO/c1-17(2)13-9-14-18(3,4)19(17)20-15-8-12-16-10-6-5-7-11-16/h5-8,10-12H,9,13-15H2,1-4H3/b12-8+
InChIKeyOXQGGLFISDLBJO-XYOKQWHBSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine (CID 11482708) is 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine is CC1(C)CCCC(C)(C)N1OC/C=C/c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine?
The InChIKey is OXQGGLFISDLBJO-XYOKQWHBSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)13-9-14-18(3,4)19(17)20-15-8-12-16-10-6-5-7-11-16/h5-8,10-12H,9,13-15H2,1-4H3/b12-8+.
What are the key properties of 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine?
2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine has a molecular weight of 273.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[(E)-3-phenylprop-2-enoxy]piperidine is sourced from PubChem (CID 11482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).