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340962-71-2 molecular structure
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ethyl 1-(piperidin-4-yl)piperidine-3-carboxylate

ChemBase ID: 310347
Molecular Formular: C13H24N2O2
Molecular Mass: 240.34186
Monoisotopic Mass: 240.18377802
SMILES and InChIs

SMILES:
N1(CC(C(=O)OCC)CCC1)C1CCNCC1
Canonical SMILES:
CCOC(=O)C1CCCN(C1)C1CCNCC1
InChI:
InChI=1S/C13H24N2O2/c1-2-17-13(16)11-4-3-9-15(10-11)12-5-7-14-8-6-12/h11-12,14H,2-10H2,1H3
InChIKey:
NCCMYMPJFQWVCO-UHFFFAOYSA-N

Cite this record

CBID:310347 http://www.chembase.cn/molecule-310347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-(piperidin-4-yl)piperidine-3-carboxylate
IUPAC Traditional name
ethyl 1-(piperidin-4-yl)piperidine-3-carboxylate
Synonyms
ethyl 1,4'-bipiperidine-3-carboxylate
CAS Number
340962-71-2
344779-08-4
MDL Number
MFCD06738855

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.939851  LogD (pH = 7.4) -2.7293746 
Log P 0.5656478  Molar Refractivity 67.8901 cm3
Polarizability 27.033255 Å3 Polar Surface Area 41.57 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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