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1241725-67-6 molecular structure
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tert-butyl 4-(cyclopropylmethyl)piperidine-1-carboxylate

ChemBase ID: 63796
Molecular Formular: C14H25NO2
Molecular Mass: 239.3538
Monoisotopic Mass: 239.18852905
SMILES and InChIs

SMILES:
C(=O)(OC(C)(C)C)N1CCC(CC2CC2)CC1
Canonical SMILES:
O=C(N1CCC(CC1)CC1CC1)OC(C)(C)C
InChI:
InChI=1S/C14H25NO2/c1-14(2,3)17-13(16)15-8-6-12(7-9-15)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKey:
LTRUEISLIRKQHN-UHFFFAOYSA-N

Cite this record

CBID:63796 http://www.chembase.cn/molecule-63796.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(cyclopropylmethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(cyclopropylmethyl)piperidine-1-carboxylate
Synonyms
tert-Butyl 4-(cyclopropylmethyl)-piperidine-1-carboxylate
CAS Number
1241725-67-6
MDL Number
MFCD17015066
PubChem SID
162029535
PubChem CID
49761294

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069121 external link Add to cart Please log in.
Data Source Data ID
PubChem 49761294 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9401302  LogD (pH = 7.4) 2.9401302 
Log P 2.9401302  Molar Refractivity 68.3275 cm3
Polarizability 26.957281 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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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