2-(2-piperidin-4-ylphenyl)acetonitrile

C13H16N2 — CID 117289499

IUPAC2-(2-piperidin-4-ylphenyl)acetonitrile
SMILESN#CCc1ccccc1C1CCNCC1
InChIInChI=1S/C13H16N2/c14-8-5-11-3-1-2-4-13(11)12-6-9-15-10-7-12/h1-4,12,15H,5-7,9-10H2
InChIKeyLWUKOEBQQACAKR-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-piperidin-4-ylphenyl)acetonitrile

2-(2-piperidin-4-ylphenyl)acetonitrile (PubChem CID 117289499) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-piperidin-4-ylphenyl)acetonitrile
PubChem CID117289499
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-(2-piperidin-4-ylphenyl)acetonitrile
SMILESN#CCc1ccccc1C1CCNCC1
InChIInChI=1S/C13H16N2/c14-8-5-11-3-1-2-4-13(11)12-6-9-15-10-7-12/h1-4,12,15H,5-7,9-10H2
InChIKeyLWUKOEBQQACAKR-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylphenyl)acetonitrile?
The IUPAC name of 2-(2-piperidin-4-ylphenyl)acetonitrile (CID 117289499) is 2-(2-piperidin-4-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-piperidin-4-ylphenyl)acetonitrile?
The canonical SMILES for 2-(2-piperidin-4-ylphenyl)acetonitrile is N#CCc1ccccc1C1CCNCC1.
What is the InChIKey of 2-(2-piperidin-4-ylphenyl)acetonitrile?
The InChIKey is LWUKOEBQQACAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-8-5-11-3-1-2-4-13(11)12-6-9-15-10-7-12/h1-4,12,15H,5-7,9-10H2.
What are the key properties of 2-(2-piperidin-4-ylphenyl)acetonitrile?
2-(2-piperidin-4-ylphenyl)acetonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylphenyl)acetonitrile is sourced from PubChem (CID 117289499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).