2,2,6,6-tetramethylpiperidin-1-ium-4-ol

C9H20NO+ — CID 7058007

IUPAC2,2,6,6-tetramethylpiperidin-1-ium-4-ol
SMILESCC1(C)CC(O)CC(C)(C)[NH2+]1
InChIInChI=1S/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3/p+1
InChIKeyVDVUCLWJZJHFAV-UHFFFAOYSA-O
MW158.26 g/mol
LogP0.26
Rot. Bonds

About 2,2,6,6-tetramethylpiperidin-1-ium-4-ol

2,2,6,6-tetramethylpiperidin-1-ium-4-ol (PubChem CID 7058007) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is 2,2,6,6-tetramethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethylpiperidin-1-ium-4-ol
PubChem CID7058007
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name2,2,6,6-tetramethylpiperidin-1-ium-4-ol
SMILESCC1(C)CC(O)CC(C)(C)[NH2+]1
InChIInChI=1S/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3/p+1
InChIKeyVDVUCLWJZJHFAV-UHFFFAOYSA-O
XLogP0.26
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
The IUPAC name of 2,2,6,6-tetramethylpiperidin-1-ium-4-ol (CID 7058007) is 2,2,6,6-tetramethylpiperidin-1-ium-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
The canonical SMILES for 2,2,6,6-tetramethylpiperidin-1-ium-4-ol is CC1(C)CC(O)CC(C)(C)[NH2+]1.
What is the InChIKey of 2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
The InChIKey is VDVUCLWJZJHFAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3/p+1.
What are the key properties of 2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
2,2,6,6-tetramethylpiperidin-1-ium-4-ol has a molecular weight of 158.26 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7058007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).