2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine

C17H25NO — CID 89240552

IUPAC2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine
SMILESC=C(OC1CC(C)(C)NC(C)(C)C1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-13(14-9-7-6-8-10-14)19-15-11-16(2,3)18-17(4,5)12-15/h6-10,15,18H,1,11-12H2,2-5H3
InChIKeyOMFAJSQPPRMWLD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.98
Rot. Bonds3

About 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine

2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine (PubChem CID 89240552) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine
PubChem CID89240552
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine
SMILESC=C(OC1CC(C)(C)NC(C)(C)C1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-13(14-9-7-6-8-10-14)19-15-11-16(2,3)18-17(4,5)12-15/h6-10,15,18H,1,11-12H2,2-5H3
InChIKeyOMFAJSQPPRMWLD-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine (CID 89240552) is 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine is C=C(OC1CC(C)(C)NC(C)(C)C1)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine?
The InChIKey is OMFAJSQPPRMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(14-9-7-6-8-10-14)19-15-11-16(2,3)18-17(4,5)12-15/h6-10,15,18H,1,11-12H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine?
2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine is sourced from PubChem (CID 89240552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).