(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate

C13H23NO3 — CID 10131000

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate
SMILESCC1(C)CC(OC(=O)C2CC2)CC(C)(C)N1O
InChIInChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3
InChIKeyZWEXEKJLDHNLLA-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.35
Rot. Bonds2

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate (PubChem CID 10131000) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate
PubChem CID10131000
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate
SMILESCC1(C)CC(OC(=O)C2CC2)CC(C)(C)N1O
InChIInChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3
InChIKeyZWEXEKJLDHNLLA-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate (CID 10131000) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate is CC1(C)CC(OC(=O)C2CC2)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate?
The InChIKey is ZWEXEKJLDHNLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate is sourced from PubChem (CID 10131000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).