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1114596-39-2 molecular structure
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1-cyclopropanecarbonylpiperidin-3-amine

ChemBase ID: 34035
Molecular Formular: C9H16N2O
Molecular Mass: 168.23614
Monoisotopic Mass: 168.12626314
SMILES and InChIs

SMILES:
N1(C(=O)C2CC2)CC(N)CCC1
Canonical SMILES:
NC1CCCN(C1)C(=O)C1CC1
InChI:
InChI=1S/C9H16N2O/c10-8-2-1-5-11(6-8)9(12)7-3-4-7/h7-8H,1-6,10H2
InChIKey:
WLLZJPLISPRNPJ-UHFFFAOYSA-N

Cite this record

CBID:34035 http://www.chembase.cn/molecule-34035.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropanecarbonylpiperidin-3-amine
IUPAC Traditional name
1-cyclopropanecarbonylpiperidin-3-amine
Synonyms
1-(Cyclopropylcarbonyl)piperidin-3-amine
1-(cyclopropylcarbonyl)-3-piperidinamine
CAS Number
1114596-39-2
MDL Number
MFCD12026976
PubChem SID
160997342
PubChem CID
25219399

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25219399 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1140053  LogD (pH = 7.4) -2.1126873 
Log P -0.13455924  Molar Refractivity 46.8195 cm3
Polarizability 18.585028 Å3 Polar Surface Area 46.33 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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