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114362-34-4 molecular structure
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(2R,5S)-2,5-bis(2-methylpropyl)piperazine

ChemBase ID: 806109
Molecular Formular: C12H26N2
Molecular Mass: 198.34824
Monoisotopic Mass: 198.20959884
SMILES and InChIs

SMILES:
[C@@H]1(CN[C@@H](CN1)CC(C)C)CC(C)C
Canonical SMILES:
CC(C[C@@H]1NC[C@H](NC1)CC(C)C)C
InChI:
InChI=1S/C12H26N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12+
InChIKey:
PCIZNFXJQOGTNN-TXEJJXNPSA-N

Cite this record

CBID:806109 http://www.chembase.cn/molecule-806109.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,5S)-2,5-bis(2-methylpropyl)piperazine
IUPAC Traditional name
(2R,5S)-2,5-bis(2-methylpropyl)piperazine
Synonyms
(2S,5R)-2,5-DIISOBUTYL-PIPERAZINE
CAS Number
114362-34-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23415 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23415 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9773797  LogD (pH = 7.4) 0.16758376 
Log P 2.6125636  Molar Refractivity 61.6336 cm3
Polarizability 25.197851 Å3 Polar Surface Area 24.06 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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INTERNET

INTERNET

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