Home > Compound List > Compound details
475105-35-2 molecular structure
click picture or here to close

tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate

ChemBase ID: 801096
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
C1CCN([C@@H](C1)CN)C(=O)OC(C)(C)C
Canonical SMILES:
NC[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKey:
PTVRCUVHYMGECC-VIFPVBQESA-N

Cite this record

CBID:801096 http://www.chembase.cn/molecule-801096.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
Synonyms
(S)-2-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester
CAS Number
475105-35-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17387 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17387 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) -1.7403206  LogD (pH = 7.4) -0.5544711 
Log P 1.203464  Molar Refractivity 59.4505 cm3
Polarizability 23.692034 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle