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5271-28-3 molecular structure
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1-methyl-2-phenylpiperazine

ChemBase ID: 306538
Molecular Formular: C11H16N2
Molecular Mass: 176.25814
Monoisotopic Mass: 176.13134852
SMILES and InChIs

SMILES:
N1(C(c2ccccc2)CNCC1)C
Canonical SMILES:
CN1CCNCC1c1ccccc1
InChI:
InChI=1S/C11H16N2/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey:
FUGQHVIDCRUGMP-UHFFFAOYSA-N

Cite this record

CBID:306538 http://www.chembase.cn/molecule-306538.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-2-phenylpiperazine
IUPAC Traditional name
1-methyl-2-phenylpiperazine
Synonyms
1-methyl-2-phenylpiperazine
CAS Number
5271-28-3
MDL Number
MFCD06739021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8025811  LogD (pH = 7.4) -0.30035526 
Log P 1.4384813  Molar Refractivity 55.0263 cm3
Polarizability 21.905655 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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