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

C10H22NO+ — CID 6992729

IUPAC1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
SMILESC[NH+]1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3/p+1
InChIKeyNWHNXXMYEICZAT-UHFFFAOYSA-O
MW172.29 g/mol
LogP0.21
Rot. Bonds

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

1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol (PubChem CID 6992729) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
PubChem CID6992729
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
SMILESC[NH+]1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3/p+1
InChIKeyNWHNXXMYEICZAT-UHFFFAOYSA-O
XLogP0.21
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
CID 66868010
2-hydroxypropane-1,2,3-tricarboxylate;tris(1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol)
CID 66868143
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
3-(aminomethyl)-3-methylcyclobutan-1-ol
CID 115011071
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
CID 160951906
1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate
CID 71677643
N'-(2-aminoethyl)ethane-1,2-diamine;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol);pentaacetate
CID 158460384
3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol
CID 163857991

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
The IUPAC name of 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol (CID 6992729) is 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol.
What is the SMILES notation for 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
The canonical SMILES for 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol is C[NH+]1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
The InChIKey is NWHNXXMYEICZAT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3/p+1.
What are the key properties of 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol has a molecular weight of 172.29 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 6992729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).