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138022-04-5 molecular structure
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tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate

ChemBase ID: 15770
Molecular Formular: C12H24N2O2
Molecular Mass: 228.33116
Monoisotopic Mass: 228.18377802
SMILES and InChIs

SMILES:
C1C(CCNC1)CN(C(=O)OC(C)(C)C)C
Canonical SMILES:
CN(C(=O)OC(C)(C)C)CC1CCNCC1
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)9-10-5-7-13-8-6-10/h10,13H,5-9H2,1-4H3
InChIKey:
ZREUHPKGCXOWCK-UHFFFAOYSA-N

Cite this record

CBID:15770 http://www.chembase.cn/molecule-15770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
IUPAC Traditional name
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
Synonyms
tert-Butyl methyl(piperidin-4-ylmethyl)-carbamate
tert-butyl methyl(4-piperidinylmethyl)carbamate
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
tert-Butyl methyl(piperidin-4-ylmethyl)carbamate
CAS Number
138022-04-5
MDL Number
MFCD06800387
PubChem SID
160979077
PubChem CID
23004743

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0265918  LogD (pH = 7.4) -1.3589313 
Log P 1.1946735  Molar Refractivity 64.6629 cm3
Polarizability 25.531202 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.906 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
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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