Home > Compound List > Compound details
61337-89-1 molecular structure
click picture or here to close

[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol

ChemBase ID: 173954
Molecular Formular: C17H21N3O
Molecular Mass: 283.36814
Monoisotopic Mass: 283.16846231
SMILES and InChIs

SMILES:
c1c(c(ncc1)N1CCN(CC1c1ccccc1)C)CO
Canonical SMILES:
OCc1cccnc1N1CCN(CC1c1ccccc1)C
InChI:
InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3
InChIKey:
PYZPABZGIRHQTA-UHFFFAOYSA-N

Cite this record

CBID:173954 http://www.chembase.cn/molecule-173954.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
IUPAC Traditional name
[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
Synonyms
1-(3-Hydroxymethyl-2-pyridyl)-4-methyl-2-phenylpiperazine
1-[3-(Hydroxymethyl)pyridin-2-yl)-4-methyl-2-phenylpiperazine
2-(4-Methyl-2-phenylpiperazin-1-yl)pyridine-3-methanol
Mirtazapine Impurity B
2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol
CAS Number
61337-89-1
PubChem SID
164229864
PubChem CID
10221435

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M320640 external link Add to cart
PubChem 10221435 external link
Data Source Data ID Price
TRC
M320640 external link Add to cart Please log in.
Data Source Data ID
PubChem 10221435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.641805  H Acceptors
H Donor LogD (pH = 5.5) 0.09736672 
LogD (pH = 7.4) 1.8641342  Log P 2.3220847 
Molar Refractivity 85.792 cm3 Polarizability 32.630997 Å3
Polar Surface Area 39.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
113-115°C expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M320640 external link
An impurity found in Mirtazapine (M365000). Mirtazapine Impurity B.

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