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1177307-97-9 molecular structure
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1-(piperidin-3-yl)propan-1-one

ChemBase ID: 306870
Molecular Formular: C8H15NO
Molecular Mass: 141.2108
Monoisotopic Mass: 141.11536411
SMILES and InChIs

SMILES:
C(=O)(C1CNCCC1)CC
Canonical SMILES:
CCC(=O)C1CCCNC1
InChI:
InChI=1S/C8H15NO/c1-2-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3
InChIKey:
LLMKXWOGGBBSTI-UHFFFAOYSA-N

Cite this record

CBID:306870 http://www.chembase.cn/molecule-306870.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(piperidin-3-yl)propan-1-one
IUPAC Traditional name
1-(piperidin-3-yl)propan-1-one
Synonyms
1-piperidin-3-ylpropan-1-one
CAS Number
1177307-97-9
MDL Number
MFCD09864249

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1371734  LogD (pH = 7.4) -1.2544491 
Log P 1.066301  Molar Refractivity 41.0993 cm3
Polarizability 16.334124 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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