1-Benzyl-4-(4-isopropylbenzoyl)piperidine

HCID 21961355

Notes Reactions

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Basic information

Standard SMILES: CC(C)c1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIKey: QVCOPGCFECACBY-UHFFFAOYSA-N
Molecular formula: C22H27NO
Average molar mass: 321.5 g/mol

Names & identifiers

Preferred name: 1-Benzyl-4-(4-isopropylbenzoyl)piperidine
IUPAC: (1-benzylpiperidin-4-yl)-(4-propan-2-ylphenyl)methanone

Names & synonyms

SCHEMBL4042398QVCOPGCFECACBY-UHFFFAOYSA-N1-benzyl-4-(4-isopropylbenzoyl)piperidine

Database identifiers

PubChem CID: 21961355

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 383

Related reactions

8 records

New reaction record

HRID 272354As reactantuspto-grants-2008_11

HRID 302283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1017864As reactantuspto-grants-2002_11

HRID 1149837As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1153289As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1743198As productuspto-grants-2006_03

HRID 1743199As reactantuspto-grants-2006_03

HRID 2211745As reactantuspto-grants-2006_09

Compound notes

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