2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine

C12H25NO — CID 21361389

IUPAC2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine
SMILESCCC1(C)CCC(C)C(C)(CC)N1O
InChIInChI=1S/C12H25NO/c1-6-11(4)9-8-10(3)12(5,7-2)13(11)14/h10,14H,6-9H2,1-5H3
InChIKeyJTTVBECLUOFWMV-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.44
Rot. Bonds2

About 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine

2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine (PubChem CID 21361389) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine.

Molecular Properties

Compound Name2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine
PubChem CID21361389
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine
SMILESCCC1(C)CCC(C)C(C)(CC)N1O
InChIInChI=1S/C12H25NO/c1-6-11(4)9-8-10(3)12(5,7-2)13(11)14/h10,14H,6-9H2,1-5H3
InChIKeyJTTVBECLUOFWMV-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine?
The IUPAC name of 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine (CID 21361389) is 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine.
What is the SMILES notation for 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine?
The canonical SMILES for 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine is CCC1(C)CCC(C)C(C)(CC)N1O.
What is the InChIKey of 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine?
The InChIKey is JTTVBECLUOFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-11(4)9-8-10(3)12(5,7-2)13(11)14/h10,14H,6-9H2,1-5H3.
What are the key properties of 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine?
2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidine is sourced from PubChem (CID 21361389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).