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(4-benzylpiperazin-1-yl)-(1H-indol-3-yl)methanone

HCID 4350077
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Basic information

CAS
137643-31-3
Standard SMILES
O=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIKey
KGJKHWBESJPEQO-UHFFFAOYSA-N
Molecular formula
C20H21N3O
Average molar mass
319.408 g/mol
Monoisotopic mass
319.16846229

Names & identifiers

Preferred name
(4-benzylpiperazin-1-yl)-(1H-indol-3-yl)methanone
IUPAC
(4-Benzylpiperazin-1-yl)(1H-indol-3-yl)methanone
English name
(4-Benzylpiperazino)(1H-indol-3-yl)methanone
Molecular formula
C20H21N3O
Molecular weight
319.4

Names & synonyms

3-(4-benzylpiperazine-1-carbonyl)-1H-indole(4-Benzylpiperazino)(1H-indol-3-yl)methanoneMethanone, 1H-indol-3-yl[4-(phenylmethyl)-1-piperazinyl]-

Database identifiers

CAS
137643-31-3
PubChem CID
4350077
DTXSID
DTXSID50402237
ChEMBL
CHEMBL318990
Nikkaji
J3.204.199J

Properties

Physicochemical properties

Boiling point
529.8 · 529.8±45.0 °C(Predicted)
Density
1.246 · 1.246±0.06 g/cm3(Predicted)
pka
16.41 · 16.41±0.30(Predicted)

Chemistry & industry

Suppliers3 total

Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]

Related reactions

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Compound notes

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