2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine

C21H42N2O2 — CID 21348345

IUPAC2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine
SMILESCC1CC(C)(C)N(OCON2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C21H42N2O2/c1-16-11-18(3,4)22(19(5,6)12-16)24-15-25-23-20(7,8)13-17(2)14-21(23,9)10/h16-17H,11-15H2,1-10H3
InChIKeyUALDFWGKTCIZJD-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.39
Rot. Bonds4

About 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine

2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine (PubChem CID 21348345) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine.

Molecular Properties

Compound Name2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine
PubChem CID21348345
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine
SMILESCC1CC(C)(C)N(OCON2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C21H42N2O2/c1-16-11-18(3,4)22(19(5,6)12-16)24-15-25-23-20(7,8)13-17(2)14-21(23,9)10/h16-17H,11-15H2,1-10H3
InChIKeyUALDFWGKTCIZJD-UHFFFAOYSA-N
XLogP5.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-2-methylpropoxy)-2,2,4,6,6-pentamethylpiperidine
CID 23403038
1-ethoxy-2,2,4,6,6-pentamethylpiperidine;1-ethoxy-2,2,6,6-tetramethylpiperidin-4-ol;methane
CID 161023393
1-(methoxymethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 25033837
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-ol
CID 22094181
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 6850828
2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde
CID 21292195

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine?
The IUPAC name of 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine (CID 21348345) is 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine.
What is the SMILES notation for 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine?
The canonical SMILES for 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine is CC1CC(C)(C)N(OCON2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1.
What is the InChIKey of 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine?
The InChIKey is UALDFWGKTCIZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-16-11-18(3,4)22(19(5,6)12-16)24-15-25-23-20(7,8)13-17(2)14-21(23,9)10/h16-17H,11-15H2,1-10H3.
What are the key properties of 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine?
2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine has a molecular weight of 354.58 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine is sourced from PubChem (CID 21348345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).