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MFCD01700132 molecular structure
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3-propylpiperidine

ChemBase ID: 50199
Molecular Formular: C8H17N
Molecular Mass: 127.22728
Monoisotopic Mass: 127.13609955
SMILES and InChIs

SMILES:
N1CC(CCC)CCC1
Canonical SMILES:
CCCC1CCCNC1
InChI:
InChI=1S/C8H17N/c1-2-4-8-5-3-6-9-7-8/h8-9H,2-7H2,1H3
InChIKey:
CRZUKKNUMNKBFJ-UHFFFAOYSA-N

Cite this record

CBID:50199 http://www.chembase.cn/molecule-50199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-propylpiperidine
IUPAC Traditional name
piperidine, 3-propyl-,
Synonyms
3-Propylpiperidine
MDL Number
MFCD01700132
PubChem SID
162054962
PubChem CID
114550

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
053690 external link Add to cart Please log in.
Data Source Data ID
PubChem 114550 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3227857  LogD (pH = 7.4) -0.948727 
Log P 1.9115978  Molar Refractivity 40.509 cm3
Polarizability 16.292534 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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