(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate

C13H25NO3 — CID 91405439

IUPAC(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate
SMILESCCC1(C)CC(OC=O)C(C)C(C)(CC)N1O
InChIInChI=1S/C13H25NO3/c1-6-12(4)8-11(17-9-15)10(3)13(5,7-2)14(12)16/h9-11,16H,6-8H2,1-5H3
InChIKeyJYNHZKDVOKFECS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds4

About (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate

(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate (PubChem CID 91405439) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate.

Molecular Properties

Compound Name(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate
PubChem CID91405439
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate
SMILESCCC1(C)CC(OC=O)C(C)C(C)(CC)N1O
InChIInChI=1S/C13H25NO3/c1-6-12(4)8-11(17-9-15)10(3)13(5,7-2)14(12)16/h9-11,16H,6-8H2,1-5H3
InChIKeyJYNHZKDVOKFECS-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethyl-1-hydroxy-2,3,6-trimethyl-4-pentoxypiperidine
CID 90921414
(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate
CID 142844351
2-(2,6-diethyl-4-methoxy-2,3,6-trimethylpiperidin-1-yl)ethanol
CID 21330339
2-ethyl-1-hydroxy-2,3,6,6-tetramethylpiperidin-4-ol
CID 143807942
2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine
CID 21361389
bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate
CID 22323173
(2,6-diethyl-2,3,6-trimethyl-1-prop-2-enylpiperidin-4-yl) (E)-but-2-enoate
CID 70604885
2-[2-(2,6-diethyl-2,3,6-trimethyl-4-prop-2-enoyloxypiperidin-1-yl)oxypropanoylamino]prop-2-enoic acid
CID 69292930
7,9-diethyl-8-hydroxy-3,6,7,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 68840597
2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91027819
bis[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl] but-2-enedioate
CID 91158379
(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
CID 54067513

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate?
The IUPAC name of (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate (CID 91405439) is (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate.
What is the SMILES notation for (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate?
The canonical SMILES for (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate is CCC1(C)CC(OC=O)C(C)C(C)(CC)N1O.
What is the InChIKey of (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate?
The InChIKey is JYNHZKDVOKFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-12(4)8-11(17-9-15)10(3)13(5,7-2)14(12)16/h9-11,16H,6-8H2,1-5H3.
What are the key properties of (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate?
(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate has a molecular weight of 243.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate is sourced from PubChem (CID 91405439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).