N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine

C12H27N2O+ — CID 59861687

IUPACN-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine
SMILESCCNCC1CC(C)(C)[NH+](O)C(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-6-13-9-10-7-11(2,3)14(15)12(4,5)8-10/h10,13,15H,6-9H2,1-5H3/p+1
InChIKeyGLTOHCCBJOQQJI-UHFFFAOYSA-O
MW215.36 g/mol
LogP0.84
Rot. Bonds3

About N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine

N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine (PubChem CID 59861687) has the molecular formula C12H27N2O+ and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine
PubChem CID59861687
Molecular FormulaC12H27N2O+
Molecular Weight215.36 g/mol
Exact Mass215.21
IUPAC NameN-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine
SMILESCCNCC1CC(C)(C)[NH+](O)C(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-6-13-9-10-7-11(2,3)14(15)12(4,5)8-10/h10,13,15H,6-9H2,1-5H3/p+1
InChIKeyGLTOHCCBJOQQJI-UHFFFAOYSA-O
XLogP0.84
TPSA36.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl
CID 550942
Tempamine H
CID 84597
4-Amino-2,2,6,6-tetramethylpiperidin-1-olate
CID 3498288
2,2,4,6-Tetramethylpiperidine
CID 95439
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)ethanamine
CID 4005925
4-amino-2,2,6,6-tetramethylpiperidine N-oxide
CID 11629669
CID 16217401
CID 16217401
1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
CID 12657389
CID 16045452
CID 16045452
1-Hydroxy-2,2,6,6-tetramethylpiperidin-3-amine
CID 17846577
2,2,4,4-Tetramethyl-piperidine-1-oxide
CID 129879407
4-Piperidineethanamine, 2,2,6,6-tetramethyl-
CID 12567367

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine (CID 59861687) is N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine is CCNCC1CC(C)(C)[NH+](O)C(C)(C)C1.
What is the InChIKey of N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine?
The InChIKey is GLTOHCCBJOQQJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H26N2O/c1-6-13-9-10-7-11(2,3)14(15)12(4,5)8-10/h10,13,15H,6-9H2,1-5H3/p+1.
What are the key properties of N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine?
N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine has a molecular weight of 215.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methyl]ethanamine is sourced from PubChem (CID 59861687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).