1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile

C11H20N2O — CID 67679217

IUPAC1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
SMILESCON1C(C)(C)CC(C#N)CC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)6-9(8-12)7-11(3,4)13(10)14-5/h9H,6-7H2,1-5H3
InChIKeyFDKLSAKERUJSHX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.34
Rot. Bonds1

About 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile

1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile (PubChem CID 67679217) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
PubChem CID67679217
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
SMILESCON1C(C)(C)CC(C#N)CC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)6-9(8-12)7-11(3,4)13(10)14-5/h9H,6-7H2,1-5H3
InChIKeyFDKLSAKERUJSHX-UHFFFAOYSA-N
XLogP2.34
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The IUPAC name of 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile (CID 67679217) is 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile is CON1C(C)(C)CC(C#N)CC1(C)C.
What is the InChIKey of 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The InChIKey is FDKLSAKERUJSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)6-9(8-12)7-11(3,4)13(10)14-5/h9H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile is sourced from PubChem (CID 67679217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).