2-phenyl-2-piperidin-1-ylacetonitrile

C13H16N2 — CID 21989

IUPAC2-phenyl-2-piperidin-1-ylacetonitrile
SMILESN#CC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyIXQJQHORYHYKBD-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.74
Rot. Bonds2

About 2-phenyl-2-piperidin-1-ylacetonitrile

2-phenyl-2-piperidin-1-ylacetonitrile (PubChem CID 21989) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-ylacetonitrile
PubChem CID21989
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-phenyl-2-piperidin-1-ylacetonitrile
SMILESN#CC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyIXQJQHORYHYKBD-UHFFFAOYSA-N
XLogP2.74
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-phenyl-2-piperidin-1-ylacetonitrile (CID 21989) is 2-phenyl-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-phenyl-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-phenyl-2-piperidin-1-ylacetonitrile is N#CC(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-phenyl-2-piperidin-1-ylacetonitrile?
The InChIKey is IXQJQHORYHYKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2.
What are the key properties of 2-phenyl-2-piperidin-1-ylacetonitrile?
2-phenyl-2-piperidin-1-ylacetonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 21989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).