4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride

C10H21ClN2O2 — CID 70623671

IUPAC4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride
SMILESCC1(C)CC(O)(C(N)=O)CC(C)(C)[NH2+]1.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)5-10(14,7(11)13)6-9(3,4)12-8;/h12,14H,5-6H2,1-4H3,(H2,11,13);1H
InChIKeyINKYWLFGEUFAFY-UHFFFAOYSA-N
MW236.74 g/mol
LogP-3.88
Rot. Bonds1

About 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride

4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride (PubChem CID 70623671) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride.

Molecular Properties

Compound Name4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride
PubChem CID70623671
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride
SMILESCC1(C)CC(O)(C(N)=O)CC(C)(C)[NH2+]1.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)5-10(14,7(11)13)6-9(3,4)12-8;/h12,14H,5-6H2,1-4H3,(H2,11,13);1H
InChIKeyINKYWLFGEUFAFY-UHFFFAOYSA-N
XLogP-3.88
TPSA79.93 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 5-3.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride?
The IUPAC name of 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride (CID 70623671) is 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride.
What is the SMILES notation for 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride?
The canonical SMILES for 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride is CC1(C)CC(O)(C(N)=O)CC(C)(C)[NH2+]1.[Cl-].
What is the InChIKey of 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride?
The InChIKey is INKYWLFGEUFAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-8(2)5-10(14,7(11)13)6-9(3,4)12-8;/h12,14H,5-6H2,1-4H3,(H2,11,13);1H.
What are the key properties of 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride?
4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride has a molecular weight of 236.74 g/mol, XLogP of -3.88, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxamide chloride is sourced from PubChem (CID 70623671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).