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MFCD09702200 molecular structure
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tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

ChemBase ID: 280179
Molecular Formular: C14H26N2O2
Molecular Mass: 254.36844
Monoisotopic Mass: 254.19942808
SMILES and InChIs

SMILES:
C(=O)(N1CC(CC1)C1CCNCC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC(C1)C1CCNCC1)OC(C)(C)C
InChI:
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h11-12,15H,4-10H2,1-3H3
InChIKey:
ZMBPMEPXLHVGRX-UHFFFAOYSA-N

Cite this record

CBID:280179 http://www.chembase.cn/molecule-280179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
Synonyms
tert-butyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
MDL Number
MFCD09702200
PubChem SID
180665710
PubChem CID
16228837

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87266 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228837 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7788385  LogD (pH = 7.4) -1.3219475 
Log P 1.4527284  Molar Refractivity 72.0809 cm3
Polarizability 28.48516 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.44 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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