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3-Chloropropyl 4-(piperidinomethyl)phenyl ether

HCID 4365932
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
ClCCCOc1ccc(CN2CCCCC2)cc1
InChIKey
ZFCVHEWMUKQJFF-UHFFFAOYSA-N
Molecular formula
C15H22ClNO
Average molar mass
267.79 g/mol

Names & identifiers

Preferred name
3-Chloropropyl 4-(piperidinomethyl)phenyl ether
IUPAC
1-[[4-(3-chloropropoxy)phenyl]methyl]piperidine

Names & synonyms

398474-02-73-chloropropyl 4-(piperidinomethyl)phenyl ether1-{[4-(3-chloropropoxy)phenyl]methyl}piperidine1-[[4-(3-chloropropoxy)phenyl]methyl]piperidineSCHEMBL3571025ZFCVHEWMUKQJFF-UHFFFAOYSA-NMFCD05974978AKOS0051065491-[4-(3-Chloro-propoxy)-benzyl]-piperidine9X-0962

Database identifiers

PubChem CID
4365932

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
211

Related reactions

8 records
New reaction record
HRID 33695 reaction equation
HRID 33695As productuspto-grants-2008_09
HRID 33701 reaction equation
HRID 33701As reactantuspto-grants-2008_09
HRID 298546 reaction equation
HRID 298546As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 321075 reaction equation
HRID 321075As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 456939 reaction equation
HRID 456939As productuspto-grants-2007_03
HRID 456942 reaction equation
HRID 456942As reactantuspto-grants-2007_03
HRID 1130066 reaction equation
HRID 1130066As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2132971 reaction equation
HRID 2132971As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes