Home > Compound List > Compound details
102458-70-8 molecular structure
click picture or here to close

2-[(3,4-dimethoxyphenyl)methyl]piperidine

ChemBase ID: 813157
Molecular Formular: C14H21NO2
Molecular Mass: 235.32204
Monoisotopic Mass: 235.15722892
SMILES and InChIs

SMILES:
C1CCNC(C1)Cc1cc(c(cc1)OC)OC
Canonical SMILES:
COc1cc(ccc1OC)CC1CCCCN1
InChI:
InChI=1S/C14H21NO2/c1-16-13-7-6-11(10-14(13)17-2)9-12-5-3-4-8-15-12/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKey:
DZYNVPSRGBLHEC-UHFFFAOYSA-N

Cite this record

CBID:813157 http://www.chembase.cn/molecule-813157.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3,4-dimethoxyphenyl)methyl]piperidine
IUPAC Traditional name
2-[(3,4-dimethoxyphenyl)methyl]piperidine
Synonyms
2-(3,4-DIMETHOXY-BENZYL)-PIPERIDINE
CAS Number
102458-70-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34136 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34136 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) -0.8090295  LogD (pH = 7.4) -0.18901978 
Log P 2.4150465  Molar Refractivity 68.7996 cm3
Polarizability 27.135496 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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