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115761-61-0 molecular structure
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1-(3-phenylphenyl)piperazine

ChemBase ID: 74329
Molecular Formular: C16H18N2
Molecular Mass: 238.32752
Monoisotopic Mass: 238.14699859
SMILES and InChIs

SMILES:
N1(c2cccc(c2)c2ccccc2)CCNCC1
Canonical SMILES:
N1CCN(CC1)c1cccc(c1)c1ccccc1
InChI:
InChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
InChIKey:
MHBONQZDOYFHIB-UHFFFAOYSA-N

Cite this record

CBID:74329 http://www.chembase.cn/molecule-74329.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-phenylphenyl)piperazine
IUPAC Traditional name
1-(3-phenylphenyl)piperazine
Synonyms
1-(Biphenyl-3-yl)piperazine
CAS Number
115761-61-0
MDL Number
MFCD06201887
PubChem SID
162039248
PubChem CID
2756712

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2756712 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.18812038  LogD (pH = 7.4) 1.7064266 
Log P 3.1925867  Molar Refractivity 76.3782 cm3
Polarizability 30.729977 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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