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387358-47-6 molecular structure
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1-benzyl-N-cyclopropylpiperidin-4-amine

ChemBase ID: 10234
Molecular Formular: C15H22N2
Molecular Mass: 230.34858
Monoisotopic Mass: 230.17829871
SMILES and InChIs

SMILES:
C1C(CCN(C1)Cc1ccccc1)NC1CC1
Canonical SMILES:
C1CN(CCC1NC1CC1)Cc1ccccc1
InChI:
InChI=1S/C15H22N2/c1-2-4-13(5-3-1)12-17-10-8-15(9-11-17)16-14-6-7-14/h1-5,14-16H,6-12H2
InChIKey:
GARBAAKWXMLSOF-UHFFFAOYSA-N

Cite this record

CBID:10234 http://www.chembase.cn/molecule-10234.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-N-cyclopropylpiperidin-4-amine
IUPAC Traditional name
1-benzyl-N-cyclopropylpiperidin-4-amine
Synonyms
1-Benzyl-4-cyclopropylaminopiperidine
CAS Number
387358-47-6
MDL Number
MFCD01308091
PubChem SID
160973541
PubChem CID
2735481

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735481 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.008016  LogD (pH = 7.4) -1.0118507 
Log P 2.0239654  Molar Refractivity 71.9683 cm3
Polarizability 28.551031 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
118°C/0.075mm expand Show data source
118°C/0.1mm 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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