2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine

C18H27NO2 — CID 57288777

IUPAC2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine
SMILESCC1(C)CC(Oc2ccccc2)CC(C)(C)N1CC1CO1
InChIInChI=1S/C18H27NO2/c1-17(2)10-15(21-14-8-6-5-7-9-14)11-18(3,4)19(17)12-16-13-20-16/h5-9,15-16H,10-13H2,1-4H3
InChIKeyVCFHGXXCDXOFII-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds4

About 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine

2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine (PubChem CID 57288777) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine
PubChem CID57288777
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine
SMILESCC1(C)CC(Oc2ccccc2)CC(C)(C)N1CC1CO1
InChIInChI=1S/C18H27NO2/c1-17(2)10-15(21-14-8-6-5-7-9-14)11-18(3,4)19(17)12-16-13-20-16/h5-9,15-16H,10-13H2,1-4H3
InChIKeyVCFHGXXCDXOFII-UHFFFAOYSA-N
XLogP3.49
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine (CID 57288777) is 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine is CC1(C)CC(Oc2ccccc2)CC(C)(C)N1CC1CO1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine?
The InChIKey is VCFHGXXCDXOFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)10-15(21-14-8-6-5-7-9-14)11-18(3,4)19(17)12-16-13-20-16/h5-9,15-16H,10-13H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine?
2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine has a molecular weight of 289.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(oxiran-2-ylmethyl)-4-phenoxypiperidine is sourced from PubChem (CID 57288777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).