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883106-47-6 molecular structure
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1-cyclopropanecarbonylpiperidin-4-amine

ChemBase ID: 17559
Molecular Formular: C9H16N2O
Molecular Mass: 168.23614
Monoisotopic Mass: 168.12626314
SMILES and InChIs

SMILES:
C(=O)(N1CCC(CC1)N)C1CC1
Canonical SMILES:
NC1CCN(CC1)C(=O)C1CC1
InChI:
InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
InChIKey:
GCYSQXZPDQBVCH-UHFFFAOYSA-N

Cite this record

CBID:17559 http://www.chembase.cn/molecule-17559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropanecarbonylpiperidin-4-amine
IUPAC Traditional name
1-cyclopropanecarbonylpiperidin-4-amine
Synonyms
(4-Amino-piperidin-1-yl)-cyclopropyl-methanone
1-(cyclopropylcarbonyl)-4-piperidinamine
1-(cyclopropylcarbonyl)piperidin-4-amine
CAS Number
883106-47-6
MDL Number
MFCD07186465
PubChem SID
160980866
PubChem CID
3163331

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3163331 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6097891  LogD (pH = 7.4) -3.0408552 
Log P -0.59196216  Molar Refractivity 47.0403 cm3
Polarizability 18.585028 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
53 - 55°C expand Show data source
Hydrophobicity(logP)
-1.652 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
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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