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146093-46-1 molecular structure
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tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate

ChemBase ID: 35399
Molecular Formular: C12H24N2O2
Molecular Mass: 228.33116
Monoisotopic Mass: 228.18377802
SMILES and InChIs

SMILES:
C(=O)(N1CCC(CC1)CCN)OC(C)(C)C
Canonical SMILES:
NCCC1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9,13H2,1-3H3
InChIKey:
LBQDLHPFISVBRU-UHFFFAOYSA-N

Cite this record

CBID:35399 http://www.chembase.cn/molecule-35399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate
Synonyms
tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate
4-(Aminoethyl)-1-N-Boc-piperidine
4-(2-Amino-ethyl)-piperidine-1-carboxylic acid tert-butyl ester
CAS Number
146093-46-1
MDL Number
MFCD04038459
PubChem SID
160998706
PubChem CID
1514258

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8951074  LogD (pH = 7.4) -1.4703282 
Log P 1.1287081  Molar Refractivity 64.5663 cm3
Polarizability 25.531202 Å3 Polar Surface Area 55.56 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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