1-hydroxy-2,2,6-trimethyl-6-methylpiperidine

C9H18NO+ — CID 135031969

IUPAC1-hydroxy-2,2,6-trimethyl-6-methylpiperidine
SMILES[CH2+]C1(C)CCCC(C)(C)N1O
InChIInChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,1,5-7H2,2-4H3/q+1
InChIKeyUMGNXWQBEIYSLU-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.23
Rot. Bonds

About 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine

1-hydroxy-2,2,6-trimethyl-6-methylpiperidine (PubChem CID 135031969) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6-trimethyl-6-methylpiperidine
PubChem CID135031969
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name1-hydroxy-2,2,6-trimethyl-6-methylpiperidine
SMILES[CH2+]C1(C)CCCC(C)(C)N1O
InChIInChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,1,5-7H2,2-4H3/q+1
InChIKeyUMGNXWQBEIYSLU-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine?
The IUPAC name of 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine (CID 135031969) is 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine.
What is the SMILES notation for 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine?
The canonical SMILES for 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine is [CH2+]C1(C)CCCC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine?
The InChIKey is UMGNXWQBEIYSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,1,5-7H2,2-4H3/q+1.
What are the key properties of 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine?
1-hydroxy-2,2,6-trimethyl-6-methylpiperidine has a molecular weight of 156.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6-trimethyl-6-methylpiperidine is sourced from PubChem (CID 135031969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).