Home > Compound List > Compound details
423768-60-9 molecular structure
click picture or here to close

4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine; oxalic acid

ChemBase ID: 83165
Molecular Formular: C13H23NO6
Molecular Mass: 289.32482
Monoisotopic Mass: 289.15253746
SMILES and InChIs

SMILES:
O1CC(C)(C)COC1C1CCNCC1.O=C(C(=O)O)O
Canonical SMILES:
CC1(C)COC(OC1)C1CCNCC1.OC(=O)C(=O)O
InChI:
InChI=1S/C11H21NO2.C2H2O4/c1-11(2)7-13-10(14-8-11)9-3-5-12-6-4-9;3-1(4)2(5)6/h9-10,12H,3-8H2,1-2H3;(H,3,4)(H,5,6)
InChIKey:
VIVKYBWHPORZOA-UHFFFAOYSA-N

Cite this record

CBID:83165 http://www.chembase.cn/molecule-83165.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine; oxalic acid
IUPAC Traditional name
4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine; oxalic acid
Synonyms
4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine oxalate
4-(1,3-dioxolan-2-yl)piperidine
CAS Number
423768-60-9
MDL Number
MFCD03659711
PubChem SID
162070284
PubChem CID
2779761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2779761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9776456  LogD (pH = 7.4) -1.5114872 
Log P 1.2535702  Molar Refractivity 55.4789 cm3
Polarizability 22.442715 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
90% 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