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MFCD01408752 molecular structure
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1-(4-tert-butylphenyl)piperazine

ChemBase ID: 240023
Molecular Formular: C14H22N2
Molecular Mass: 218.33788
Monoisotopic Mass: 218.17829871
SMILES and InChIs

SMILES:
N1(c2ccc(C(C)(C)C)cc2)CCNCC1
Canonical SMILES:
CC(c1ccc(cc1)N1CCNCC1)(C)C
InChI:
InChI=1S/C14H22N2/c1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKey:
ORDMNUOREWSOKN-UHFFFAOYSA-N

Cite this record

CBID:240023 http://www.chembase.cn/molecule-240023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-tert-butylphenyl)piperazine
IUPAC Traditional name
1-(4-tert-butylphenyl)piperazine
Synonyms
1-(4-tert-butylphenyl)piperazine
MDL Number
MFCD01408752
PubChem SID
164295933
PubChem CID
781722

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-111002 external link Add to cart Please log in.
Data Source Data ID
PubChem 781722 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 3.0904176  Molar Refractivity 69.9079 cm3
Polarizability 26.961147 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.07977247  LogD (pH = 7.4) 1.5901637 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.907 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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