3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile

C12H23N3 — CID 2058195

IUPAC3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile
SMILESCC1(C)CC(NCCC#N)CC(C)(C)N1
InChIInChI=1S/C12H23N3/c1-11(2)8-10(14-7-5-6-13)9-12(3,4)15-11/h10,14-15H,5,7-9H2,1-4H3
InChIKeyZQWMCKVAMCDZSL-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.80
Rot. Bonds3

About 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile

3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile (PubChem CID 2058195) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile
PubChem CID2058195
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile
SMILESCC1(C)CC(NCCC#N)CC(C)(C)N1
InChIInChI=1S/C12H23N3/c1-11(2)8-10(14-7-5-6-13)9-12(3,4)15-11/h10,14-15H,5,7-9H2,1-4H3
InChIKeyZQWMCKVAMCDZSL-UHFFFAOYSA-N
XLogP1.80
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
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)amino]propanenitrile?
The IUPAC name of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile (CID 2058195) is 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile is CC1(C)CC(NCCC#N)CC(C)(C)N1.
What is the InChIKey of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile?
The InChIKey is ZQWMCKVAMCDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2)8-10(14-7-5-6-13)9-12(3,4)15-11/h10,14-15H,5,7-9H2,1-4H3.
What are the key properties of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile?
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 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)amino]propanenitrile is sourced from PubChem (CID 2058195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).