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2-Hydroxy-3-[3-(1-piperidylmethyl)benzyloxy]propylamine

HCID 13535477
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NCC(O)COCc1cccc(CN2CCCCC2)c1
InChIKey
VYKYGQAHBFNGLM-UHFFFAOYSA-N
Molecular formula
C16H26N2O2
Average molar mass
278.39 g/mol

Names & identifiers

Preferred name
2-Hydroxy-3-[3-(1-piperidylmethyl)benzyloxy]propylamine
IUPAC
1-amino-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propan-2-ol

Names & synonyms

SCHEMBL10735313VYKYGQAHBFNGLM-UHFFFAOYSA-N2-hydroxy-3-[3-(1-piperidylmethyl)benzyloxy]propylamine2-Hydroxy-3-[3-(1-piperidylmethyl)-benzyloxy]propylamine

Database identifiers

PubChem CID
13535477

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
58.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
257

Related reactions

7 records
New reaction record
HRID 191718 reaction equation
HRID 191718As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 542199 reaction equation
HRID 542199As productuspto-grants-1987_04
HRID 542781 reaction equation
HRID 542781As productuspto-grants-1987_04
HRID 542782 reaction equation
HRID 542782As reactantuspto-grants-1987_04
HRID 542783 reaction equation
HRID 542783As reactantuspto-grants-1987_04
HRID 542788 reaction equation
HRID 542788As reactantuspto-grants-1987_04
HRID 1233961 reaction equation
HRID 1233961As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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