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1-(3-Phenylprop-2-yn-1-yl)piperazine

HCID 60799583
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Basic information

CAS
148728-47-6
Standard SMILES
C(#Cc1ccccc1)CN1CCNCC1
InChIKey
FZSGPCWHYSRBHK-UHFFFAOYSA-N
Molecular formula
C13H16N2
Average molar mass
200.28 g/mol
Monoisotopic mass
200.13134852

Names & identifiers

Preferred name
1-(3-Phenylprop-2-yn-1-yl)piperazine
IUPAC
1-(3-phenylprop-2-ynyl)piperazine

Names & synonyms

148728-47-61-(3-Phenylprop-2-yn-1-yl)piperazineSCHEMBL3251635DTXSID50734025FZSGPCWHYSRBHK-UHFFFAOYSA-N1-(3-Phenylprop-2-ynyl)-piperazine

Database identifiers

CAS
148728-47-6
PubChem CID
60799583
DTXSID
DTXSID50734025

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
236

Related reactions

2 records
New reaction record
HRID 1222258 reaction equation
HRID 1222258As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1990911 reaction equation
HRID 1990911As productuspto-grants-2010_01

Compound notes

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