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1135185-61-3 molecular structure
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(2S)-1-cyclohexyl-2-methylpiperazine

ChemBase ID: 812033
Molecular Formular: C11H22N2
Molecular Mass: 182.30578
Monoisotopic Mass: 182.17829871
SMILES and InChIs

SMILES:
[C@@H]1(CNCCN1C1CCCCC1)C
Canonical SMILES:
C[C@H]1CNCCN1C1CCCCC1
InChI:
InChI=1S/C11H22N2/c1-10-9-12-7-8-13(10)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3/t10-/m0/s1
InChIKey:
IINAXHUSBGJNTC-JTQLQIEISA-N

Cite this record

CBID:812033 http://www.chembase.cn/molecule-812033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1-cyclohexyl-2-methylpiperazine
IUPAC Traditional name
(2S)-1-cyclohexyl-2-methylpiperazine
Synonyms
(S)-1-CYCLOHEXYL-2-METHYL-PIPERAZINE
CAS Number
1135185-61-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31733 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31733 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) -1.6029301  LogD (pH = 7.4) -0.98429483 
Log P 1.8700867  Molar Refractivity 56.1765 cm3
Polarizability 22.610828 Å3 Polar Surface Area 15.27 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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