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387358-46-5 molecular structure
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1-[4-(cyclopropylamino)piperidin-1-yl]ethan-1-one

ChemBase ID: 10233
Molecular Formular: C10H18N2O
Molecular Mass: 182.26272
Monoisotopic Mass: 182.14191321
SMILES and InChIs

SMILES:
N1(C(=O)C)CCC(NC2CC2)CC1
Canonical SMILES:
CC(=O)N1CCC(CC1)NC1CC1
InChI:
InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3
InChIKey:
KWLJTPCIXGQHSB-UHFFFAOYSA-N

Cite this record

CBID:10233 http://www.chembase.cn/molecule-10233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(cyclopropylamino)piperidin-1-yl]ethan-1-one
IUPAC Traditional name
1-[4-(cyclopropylamino)piperidin-1-yl]ethanone
Synonyms
1-Acetyl-4-(cyclopropylamino)piperidine
1-Acetyl-4-cyclopropylaminopiperidine
CAS Number
387358-46-5
MDL Number
MFCD01941331
PubChem SID
160973540
PubChem CID
2735241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6985598  LogD (pH = 7.4) -3.0944963 
Log P -0.47361347  Molar Refractivity 51.6269 cm3
Polarizability 20.424976 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
130°C/0.11mm expand Show data source
130°C/0.15mm expand Show data source
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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