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54152-47-5 molecular structure
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2,2-dimethylpiperidine

ChemBase ID: 798767
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
C1CCNC(C1)(C)C
Canonical SMILES:
CC1(C)CCCCN1
InChI:
InChI=1S/C7H15N/c1-7(2)5-3-4-6-8-7/h8H,3-6H2,1-2H3
InChIKey:
LBUPWCHXRSTTNO-UHFFFAOYSA-N

Cite this record

CBID:798767 http://www.chembase.cn/molecule-798767.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethylpiperidine
IUPAC Traditional name
2,2-dimethylpiperidine
Synonyms
2,2-dimethylpiperidine
CAS Number
54152-47-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12233 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12233 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) -1.8809582  LogD (pH = 7.4) -1.5483503 
Log P 1.3546394  Molar Refractivity 35.8924 cm3
Polarizability 14.445701 Å3 Polar Surface Area 12.03 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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