(1,2,2,6,6-pentamethylpiperidin-4-yl) formate

C11H21NO2 — CID 54067513

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
SMILESCN1C(C)(C)CC(OC=O)CC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)6-9(14-8-13)7-11(3,4)12(10)5/h8-9H,6-7H2,1-5H3
InChIKeyKLANLQGGHXBKNQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds2

About (1,2,2,6,6-pentamethylpiperidin-4-yl) formate

(1,2,2,6,6-pentamethylpiperidin-4-yl) formate (PubChem CID 54067513) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) formate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
PubChem CID54067513
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
SMILESCN1C(C)(C)CC(OC=O)CC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)6-9(14-8-13)7-11(3,4)12(10)5/h8-9H,6-7H2,1-5H3
InChIKeyKLANLQGGHXBKNQ-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) formate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) formate (CID 54067513) is (1,2,2,6,6-pentamethylpiperidin-4-yl) formate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) formate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) formate is CN1C(C)(C)CC(OC=O)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) formate?
The InChIKey is KLANLQGGHXBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)6-9(14-8-13)7-11(3,4)12(10)5/h8-9H,6-7H2,1-5H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) formate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) formate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) formate is sourced from PubChem (CID 54067513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).