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1-[4-(3-Phenylpropyl)piperidin-1-yl]octan-3-one

HCID 11537237
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCC(=O)CCN1CCC(CCCc2ccccc2)CC1
InChIKey
GBCZOCSGSPXTLX-UHFFFAOYSA-N
Molecular formula
C22H35NO
Average molar mass
329.5 g/mol
Monoisotopic mass
329.27186474

Names & identifiers

Preferred name
1-[4-(3-Phenylpropyl)piperidin-1-yl]octan-3-one
IUPAC
1-[4-(3-phenylpropyl)piperidin-1-yl]octan-3-one

Names & synonyms

SCHEMBL83710GBCZOCSGSPXTLX-UHFFFAOYSA-N1-[4-(3-phenylpropyl)piperidin-1-yl]octan-3-one

Database identifiers

PubChem CID
11537237

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
24
Formal charge
0
Complexity
327

Related reactions

6 records
New reaction record
HRID 284773 reaction equation
HRID 284773As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1091975 reaction equation
HRID 1091975As productuspto-grants-2012_03
HRID 1091976 reaction equation
HRID 1091976As reactantuspto-grants-2012_03
HRID 1157694 reaction equation
HRID 1157694As productuspto-grants-2010_10
HRID 1157695 reaction equation
HRID 1157695As reactantuspto-grants-2010_10
HRID 2125988 reaction equation
HRID 2125988As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes