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907972-04-7 molecular structure
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2-[(pyridin-4-yl)methyl]piperazine

ChemBase ID: 808067
Molecular Formular: C10H15N3
Molecular Mass: 177.2462
Monoisotopic Mass: 177.1265975
SMILES and InChIs

SMILES:
C1(CNCCN1)Cc1ccncc1
Canonical SMILES:
N1CCNC(C1)Cc1ccncc1
InChI:
InChI=1S/C10H15N3/c1-3-11-4-2-9(1)7-10-8-12-5-6-13-10/h1-4,10,12-13H,5-8H2
InChIKey:
VQTOBKXDDUOIDX-UHFFFAOYSA-N

Cite this record

CBID:808067 http://www.chembase.cn/molecule-808067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(pyridin-4-yl)methyl]piperazine
IUPAC Traditional name
2-(pyridin-4-ylmethyl)piperazine
Synonyms
2-PYRIDIN-4-YLMETHYL-PIPERAZINE
CAS Number
907972-04-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26229 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26229 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -1.742383  Log P 0.12642214 
Molar Refractivity 52.3297 cm3 Polarizability 20.893816 Å3
Polar Surface Area 36.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -3.328656 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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