4-[3-(1-Piperidinylmethyl)phenoxy]butanal

HCID 21297547

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=CCCCOc1cccc(CN2CCCCC2)c1
InChIKey: CXBRCGACWIZGOB-UHFFFAOYSA-N
Molecular formula: C16H23NO2
Average molar mass: 261.36 g/mol

Names & identifiers

Preferred name: 4-[3-(1-Piperidinylmethyl)phenoxy]butanal
IUPAC: 4-[3-(piperidin-1-ylmethyl)phenoxy]butanal

Names & synonyms

SCHEMBL10661991CXBRCGACWIZGOB-UHFFFAOYSA-N4-[3-(1-piperidinylmethyl)phenoxy]butanal

Database identifiers

PubChem CID: 21297547

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 251

Related reactions

9 records

New reaction record

HRID 35069 reaction equation

HRID 35069As reactantuspto-grants-1988_08

HRID 325715 reaction equation

HRID 325715As reactantuspto-grants-1984_04

HRID 485376 reaction equation

HRID 485376As productuspto-grants-1985_08

HRID 485377 reaction equation

HRID 485377As productuspto-grants-1985_08

HRID 485386 reaction equation

HRID 485386As reactantuspto-grants-1985_08

HRID 652094 reaction equation

HRID 652094As reactantuspto-grants-1987_06

HRID 936979 reaction equation

HRID 936979As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 951814 reaction equation

HRID 951814As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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4-[3-(1-Piperidinylmethyl)phenoxy]butanal (HCID 21297547)｜Huagongshe