2-(4-benzylidenepiperidin-1-yl)acetonitrile

C14H16N2 — CID 71977121

IUPAC2-(4-benzylidenepiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C14H16N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,12H,6-7,9-11H2
InChIKeyQPLOZCSCWHLCGD-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-benzylidenepiperidin-1-yl)acetonitrile

2-(4-benzylidenepiperidin-1-yl)acetonitrile (PubChem CID 71977121) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(4-benzylidenepiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzylidenepiperidin-1-yl)acetonitrile
PubChem CID71977121
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-(4-benzylidenepiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C14H16N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,12H,6-7,9-11H2
InChIKeyQPLOZCSCWHLCGD-UHFFFAOYSA-N
XLogP2.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylidenepiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-benzylidenepiperidin-1-yl)acetonitrile (CID 71977121) is 2-(4-benzylidenepiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-benzylidenepiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-benzylidenepiperidin-1-yl)acetonitrile is N#CCN1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylidenepiperidin-1-yl)acetonitrile?
The InChIKey is QPLOZCSCWHLCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,12H,6-7,9-11H2.
What are the key properties of 2-(4-benzylidenepiperidin-1-yl)acetonitrile?
2-(4-benzylidenepiperidin-1-yl)acetonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylidenepiperidin-1-yl)acetonitrile is sourced from PubChem (CID 71977121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).