2-(1-benzylpiperidin-4-ylidene)propanenitrile

C15H18N2 — CID 20686977

IUPAC2-(1-benzylpiperidin-4-ylidene)propanenitrile
SMILESCC(C#N)=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2/c1-13(11-16)15-7-9-17(10-8-15)12-14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3
InChIKeyYKKJIDIYFRJPOO-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.12
Rot. Bonds2

About 2-(1-benzylpiperidin-4-ylidene)propanenitrile

2-(1-benzylpiperidin-4-ylidene)propanenitrile (PubChem CID 20686977) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-ylidene)propanenitrile.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-ylidene)propanenitrile
PubChem CID20686977
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-(1-benzylpiperidin-4-ylidene)propanenitrile
SMILESCC(C#N)=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2/c1-13(11-16)15-7-9-17(10-8-15)12-14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3
InChIKeyYKKJIDIYFRJPOO-UHFFFAOYSA-N
XLogP3.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-benzylpiperidin-4-ylidene)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyano 2-(1-benzylpiperidin-4-ylidene)butanoate
CID 91604536
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-amino-2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)but-2-enenitrile
CID 69270094
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-ylidene]propanedinitrile
CID 23053141
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
CID 71505250
2-[[4-[(4-benzylpiperazin-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168542496
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-ylidene)propanenitrile?
The IUPAC name of 2-(1-benzylpiperidin-4-ylidene)propanenitrile (CID 20686977) is 2-(1-benzylpiperidin-4-ylidene)propanenitrile.
What is the SMILES notation for 2-(1-benzylpiperidin-4-ylidene)propanenitrile?
The canonical SMILES for 2-(1-benzylpiperidin-4-ylidene)propanenitrile is CC(C#N)=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-ylidene)propanenitrile?
The InChIKey is YKKJIDIYFRJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-13(11-16)15-7-9-17(10-8-15)12-14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3.
What are the key properties of 2-(1-benzylpiperidin-4-ylidene)propanenitrile?
2-(1-benzylpiperidin-4-ylidene)propanenitrile has a molecular weight of 226.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-ylidene)propanenitrile is sourced from PubChem (CID 20686977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).