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3-(1-Benzylpiperidin-4-yl)propanenitrile

HCID 19959256
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCCC1CCN(Cc2ccccc2)CC1
InChIKey
SCYMEZPZSCSVDL-UHFFFAOYSA-N
Molecular formula
C15H20N2
Average molar mass
228.33 g/mol

Names & identifiers

Preferred name
3-(1-Benzylpiperidin-4-yl)propanenitrile
IUPAC
3-(1-benzylpiperidin-4-yl)propanenitrile

Names & synonyms

SCHEMBL8825518SCYMEZPZSCSVDL-UHFFFAOYSA-N3-(1-benzylpiperidin-4-yl)propanenitrile

Database identifiers

PubChem CID
19959256

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
251

Related reactions

4 records
New reaction record
HRID 54553 reaction equation
HRID 54553As productuspto-grants-1997_04
HRID 54554 reaction equation
HRID 54554As reactantuspto-grants-1997_04
HRID 832211 reaction equation
HRID 832211As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1547212 reaction equation
HRID 1547212As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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