3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile

C12H22N2O — CID 20516599

IUPAC3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile
SMILESCC1(C)CC(OCCC#N)CC(C)(C)N1
InChIInChI=1S/C12H22N2O/c1-11(2)8-10(15-7-5-6-13)9-12(3,4)14-11/h10,14H,5,7-9H2,1-4H3
InChIKeyOJPHVZFZIDIHTM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds3

About 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile

3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile (PubChem CID 20516599) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile
PubChem CID20516599
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile
SMILESCC1(C)CC(OCCC#N)CC(C)(C)N1
InChIInChI=1S/C12H22N2O/c1-11(2)8-10(15-7-5-6-13)9-12(3,4)14-11/h10,14H,5,7-9H2,1-4H3
InChIKeyOJPHVZFZIDIHTM-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile (CID 20516599) is 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile is CC1(C)CC(OCCC#N)CC(C)(C)N1.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile?
The InChIKey is OJPHVZFZIDIHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)8-10(15-7-5-6-13)9-12(3,4)14-11/h10,14H,5,7-9H2,1-4H3.
What are the key properties of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile?
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanenitrile is sourced from PubChem (CID 20516599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).