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1-(2-Ethoxy-2-phenylethyl)piperazine

HCID 13020175
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
6722-51-6
Standard SMILES
CCOC(CN1CCNCC1)c1ccccc1
InChIKey
KOSZSUOVPAWNRE-UHFFFAOYSA-N
Molecular formula
C14H22N2O
Average molar mass
234.34 g/mol
Monoisotopic mass
234.17321333

Names & identifiers

Preferred name
1-(2-Ethoxy-2-phenylethyl)piperazine
IUPAC
1-(2-ethoxy-2-phenylethyl)piperazine

Names & synonyms

1-(2-ethoxy-2-phenylethyl)piperazineDTXSID905153756722-51-6RefChem:223425DTXCID00466182SCHEMBL10922179SCHEMBL10922181KOSZSUOVPAWNRE-UHFFFAOYSA-N

Database identifiers

CAS
6722-51-6
PubChem CID
13020175
DTXSID
DTXSID90515375
Nikkaji
J29.023H

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
24.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
198

Related reactions

2 records
New reaction record
HRID 1980568 reaction equation
HRID 1980568As reactantuspto-grants-1985_04
HRID 2123848 reaction equation
HRID 2123848As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes