1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol

C8H17NO3 — CID 138599858

IUPAC1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol
SMILESCC1(C)CC(O)CC(C)(O)N1O
InChIInChI=1S/C8H17NO3/c1-7(2)4-6(10)5-8(3,11)9(7)12/h6,10-12H,4-5H2,1-3H3
InChIKeyXBECAHVMRMDLHQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.32
Rot. Bonds

About 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol

1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol (PubChem CID 138599858) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol.

Molecular Properties

Compound Name1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol
PubChem CID138599858
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol
SMILESCC1(C)CC(O)CC(C)(O)N1O
InChIInChI=1S/C8H17NO3/c1-7(2)4-6(10)5-8(3,11)9(7)12/h6,10-12H,4-5H2,1-3H3
InChIKeyXBECAHVMRMDLHQ-UHFFFAOYSA-N
XLogP0.32
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol?
The IUPAC name of 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol (CID 138599858) is 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol.
What is the SMILES notation for 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol?
The canonical SMILES for 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol is CC1(C)CC(O)CC(C)(O)N1O.
What is the InChIKey of 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol?
The InChIKey is XBECAHVMRMDLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(2)4-6(10)5-8(3,11)9(7)12/h6,10-12H,4-5H2,1-3H3.
What are the key properties of 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol?
1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol has a molecular weight of 175.23 g/mol, XLogP of 0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,6,6-trimethylpiperidine-2,4-diol is sourced from PubChem (CID 138599858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).