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402832-69-3 molecular structure
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(2S,6S)-2,6-dimethylpiperazine

ChemBase ID: 806121
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
[C@@H]1(CNC[C@@H](N1)C)C
Canonical SMILES:
C[C@H]1CNC[C@@H](N1)C
InChI:
InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey:
IFNWESYYDINUHV-WDSKDSINSA-N

Cite this record

CBID:806121 http://www.chembase.cn/molecule-806121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,6S)-2,6-dimethylpiperazine
IUPAC Traditional name
(2S,6S)-2,6-dimethylpiperazine
Synonyms
(2S,6S)-2,6-DIMETHYLPIPERAZINE
CAS Number
402832-69-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23427 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23427 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) -3.3636115  LogD (pH = 7.4) -2.2065456 
Log P 0.10434322  Molar Refractivity 34.2864 cm3
Polarizability 14.118806 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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