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210564-54-8 molecular structure
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tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate

ChemBase ID: 811774
Molecular Formular: C12H22BrNO2
Molecular Mass: 292.21258
Monoisotopic Mass: 291.08339095
SMILES and InChIs

SMILES:
C1CCN(CC1CCBr)C(=O)OC(C)(C)C
Canonical SMILES:
BrCCC1CCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9H2,1-3H3
InChIKey:
SRWFLHHXMSGSSU-UHFFFAOYSA-N

Cite this record

CBID:811774 http://www.chembase.cn/molecule-811774.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate
Synonyms
TERT-BUTYL 3-(2-BROMOETHYL)PIPERIDINE-1-CARBOXYLATE
CAS Number
210564-54-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31206 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31206 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8536308  LogD (pH = 7.4) 2.8536308 
Log P 2.8536308  Molar Refractivity 68.8663 cm3
Polarizability 26.735638 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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