Home > Compound List > Compound details
129999-62-8 molecular structure
click picture or here to close

[1-(2-aminoethyl)piperidin-4-yl]methanol

ChemBase ID: 59165
Molecular Formular: C8H18N2O
Molecular Mass: 158.24132
Monoisotopic Mass: 158.14191321
SMILES and InChIs

SMILES:
N1(CCC(CC1)CO)CCN
Canonical SMILES:
NCCN1CCC(CC1)CO
InChI:
InChI=1S/C8H18N2O/c9-3-6-10-4-1-8(7-11)2-5-10/h8,11H,1-7,9H2
InChIKey:
GSPGIVPZQUNHRX-UHFFFAOYSA-N

Cite this record

CBID:59165 http://www.chembase.cn/molecule-59165.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(2-aminoethyl)piperidin-4-yl]methanol
IUPAC Traditional name
[1-(2-aminoethyl)piperidin-4-yl]methanol
Synonyms
[1-(2-Aminoethyl)-4-piperidinyl]methanol
[1-(2-aminoethyl)-4-piperidinyl]methanol
[1-(2-Aminoethyl)piperidin-4-yl]methanol
CAS Number
129999-62-8
MDL Number
MFCD09723205
PubChem SID
162063928
PubChem CID
19104142

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.46719  H Acceptors
H Donor LogD (pH = 5.5) -5.2135243 
LogD (pH = 7.4) -3.018513  Log P -0.828154 
Molar Refractivity 46.4802 cm3 Polarizability 18.407972 Å3
Polar Surface Area 49.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.585 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C8H18N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00284 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

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