2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine

C26H37NO2 — CID 143193631

IUPAC2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine
SMILESCCC1(C)CC(OCc2ccccc2)(OCc2ccccc2)C(C)C(C)(CC)N1
InChIInChI=1S/C26H37NO2/c1-6-24(4)20-26(21(3)25(5,7-2)27-24,28-18-22-14-10-8-11-15-22)29-19-23-16-12-9-13-17-23/h8-17,21,27H,6-7,18-20H2,1-5H3
InChIKeyKEQGMJODSLVRLB-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.08
Rot. Bonds8

About 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine

2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine (PubChem CID 143193631) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine.

Molecular Properties

Compound Name2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine
PubChem CID143193631
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine
SMILESCCC1(C)CC(OCc2ccccc2)(OCc2ccccc2)C(C)C(C)(CC)N1
InChIInChI=1S/C26H37NO2/c1-6-24(4)20-26(21(3)25(5,7-2)27-24,28-18-22-14-10-8-11-15-22)29-19-23-16-12-9-13-17-23/h8-17,21,27H,6-7,18-20H2,1-5H3
InChIKeyKEQGMJODSLVRLB-UHFFFAOYSA-N
XLogP6.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 69488227
(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
CID 90999367
2-benzyl-2-[bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-phenylmethyl]propanedioic acid
CID 70530835
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
2-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)oxycarbonylbenzoic acid
CID 23344692
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
7,9-diethyl-3-(hydroxymethyl)-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-ol
CID 69267413
5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
CID 21397275
(3R,4S,5R)-5-ethyl-4,5-dimethyl-3-phenylmethoxyoxolan-2-one
CID 118068857
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine?
The IUPAC name of 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine (CID 143193631) is 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine.
What is the SMILES notation for 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine?
The canonical SMILES for 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine is CCC1(C)CC(OCc2ccccc2)(OCc2ccccc2)C(C)C(C)(CC)N1.
What is the InChIKey of 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine?
The InChIKey is KEQGMJODSLVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-6-24(4)20-26(21(3)25(5,7-2)27-24,28-18-22-14-10-8-11-15-22)29-19-23-16-12-9-13-17-23/h8-17,21,27H,6-7,18-20H2,1-5H3.
What are the key properties of 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine?
2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine has a molecular weight of 395.59 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,3,6-trimethyl-4,4-bis(phenylmethoxy)piperidine is sourced from PubChem (CID 143193631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).