(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride

C14H22ClNO4 — CID 6602846

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride
SMILESCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-13(2)8-10(9-14(3,4)15(13)17)19-12(16)11-6-5-7-18-11;/h5-7,10,17H,8-9H2,1-4H3;1H
InChIKeyOBXGVVNQHPPMCN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.27
Rot. Bonds2

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride (PubChem CID 6602846) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride
PubChem CID6602846
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride
SMILESCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-13(2)8-10(9-14(3,4)15(13)17)19-12(16)11-6-5-7-18-11;/h5-7,10,17H,8-9H2,1-4H3;1H
InChIKeyOBXGVVNQHPPMCN-UHFFFAOYSA-N
XLogP3.27
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride (CID 6602846) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride is CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O.Cl.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
The InChIKey is OBXGVVNQHPPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.ClH/c1-13(2)8-10(9-14(3,4)15(13)17)19-12(16)11-6-5-7-18-11;/h5-7,10,17H,8-9H2,1-4H3;1H.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 6602846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).