2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine

C20H31NO3 — CID 22277884

IUPAC2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
SMILESCC1(C)CCCC(C)(C)N1OC(COCC1CO1)c1ccccc1
InChIInChI=1S/C20H31NO3/c1-19(2)11-8-12-20(3,4)21(19)24-18(15-22-13-17-14-23-17)16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3
InChIKeyHNCQODNKCQOUGS-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.12
Rot. Bonds7

About 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine

2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine (PubChem CID 22277884) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
PubChem CID22277884
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
SMILESCC1(C)CCCC(C)(C)N1OC(COCC1CO1)c1ccccc1
InChIInChI=1S/C20H31NO3/c1-19(2)11-8-12-20(3,4)21(19)24-18(15-22-13-17-14-23-17)16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3
InChIKeyHNCQODNKCQOUGS-UHFFFAOYSA-N
XLogP4.12
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloro-dimethyl-[9-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]nonyl]silane
CID 100969512
chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
CID 101364279
4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile
CID 102460269
[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
CID 139213166
(2R)-2-(4-methylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanol
CID 102583972
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine
CID 101226417
2-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino]ethanol
CID 143114964
2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
CID 175751698
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 87540495

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine (CID 22277884) is 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine is CC1(C)CCCC(C)(C)N1OC(COCC1CO1)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine?
The InChIKey is HNCQODNKCQOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-19(2)11-8-12-20(3,4)21(19)24-18(15-22-13-17-14-23-17)16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine?
2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine has a molecular weight of 333.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine is sourced from PubChem (CID 22277884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).