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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
H Acceptors H Donor
LogD (pH = 5.5) 0.07977247  LogD (pH = 7.4) 1.5901637 
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 

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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