2,2,6,6-tetramethoxypiperidine

C9H19NO4 — CID 91564801

IUPAC2,2,6,6-tetramethoxypiperidine
SMILESCOC1(OC)CCCC(OC)(OC)N1
InChIInChI=1S/C9H19NO4/c1-11-8(12-2)6-5-7-9(10-8,13-3)14-4/h10H,5-7H2,1-4H3
InChIKeyJYXLZGXKNOYPGS-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.65
Rot. Bonds4

About 2,2,6,6-tetramethoxypiperidine

2,2,6,6-tetramethoxypiperidine (PubChem CID 91564801) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2,2,6,6-tetramethoxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethoxypiperidine
PubChem CID91564801
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2,2,6,6-tetramethoxypiperidine
SMILESCOC1(OC)CCCC(OC)(OC)N1
InChIInChI=1S/C9H19NO4/c1-11-8(12-2)6-5-7-9(10-8,13-3)14-4/h10H,5-7H2,1-4H3
InChIKeyJYXLZGXKNOYPGS-UHFFFAOYSA-N
XLogP0.65
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethoxypiperidine?
The IUPAC name of 2,2,6,6-tetramethoxypiperidine (CID 91564801) is 2,2,6,6-tetramethoxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethoxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethoxypiperidine is COC1(OC)CCCC(OC)(OC)N1.
What is the InChIKey of 2,2,6,6-tetramethoxypiperidine?
The InChIKey is JYXLZGXKNOYPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-11-8(12-2)6-5-7-9(10-8,13-3)14-4/h10H,5-7H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethoxypiperidine?
2,2,6,6-tetramethoxypiperidine has a molecular weight of 205.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethoxypiperidine is sourced from PubChem (CID 91564801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).