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4-[3-(1-Piperidinyl)propoxy]aniline

HCID 21974932
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(OCCCN2CCCCC2)cc1
InChIKey
ROPJHTWQKBBFTF-UHFFFAOYSA-N
Molecular formula
C14H22N2O
Average molar mass
234.34 g/mol

Names & identifiers

Preferred name
4-[3-(1-Piperidinyl)propoxy]aniline
IUPAC
4-(3-piperidin-1-ylpropoxy)aniline

Names & synonyms

4-[3-(1-piperidinyl)propoxy]aniline4-(3-Piperidin-1-ylpropoxy)aniline251552-34-84-(3-piperidin-1-yl-propoxy)anilineSCHEMBL2968936SCHEMBL3576366ROPJHTWQKBBFTF-UHFFFAOYSA-N4-(3-(piperidin-1-yl)propoxy)benzenamine4-(3-Piperidin-1-yl-propoxy)-phenylamineDB-294688A1-09722

Database identifiers

PubChem CID
21974932

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
38.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
196

Related reactions

33 records
New reaction record
HRID 11512 reaction equation
HRID 11512As reactantuspto-grants-2006_08
HRID 11513 reaction equation
HRID 11513As reactantuspto-grants-2006_08
HRID 11514 reaction equation
HRID 11514As reactantuspto-grants-2006_08
HRID 11515 reaction equation
HRID 11515As reactantuspto-grants-2006_08
HRID 11528 reaction equation
HRID 11528As reactantuspto-grants-2006_08
HRID 11544 reaction equation
HRID 11544As reactantuspto-grants-2006_08
HRID 193942 reaction equation
HRID 193942As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 495450 reaction equation
HRID 495450As productuspto-grants-2005_09
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Compound notes

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