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1217471-34-5 molecular structure
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(2S)-2-[(pyridin-2-yl)methyl]piperazine

ChemBase ID: 808062
Molecular Formular: C10H15N3
Molecular Mass: 177.2462
Monoisotopic Mass: 177.1265975
SMILES and InChIs

SMILES:
[C@@H]1(CNCCN1)Cc1ncccc1
Canonical SMILES:
C1CN[C@H](CN1)Cc1ccccn1
InChI:
InChI=1S/C10H15N3/c1-2-4-12-9(3-1)7-10-8-11-5-6-13-10/h1-4,10-11,13H,5-8H2/t10-/m0/s1
InChIKey:
BNVDJCJTNXGSDK-JTQLQIEISA-N

Cite this record

CBID:808062 http://www.chembase.cn/molecule-808062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-[(pyridin-2-yl)methyl]piperazine
IUPAC Traditional name
(2S)-2-(pyridin-2-ylmethyl)piperazine
Synonyms
(S)-2-PYRIDIN-2-YLMETHYL-PIPERAZINE
CAS Number
1217471-34-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26224 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26224 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) -3.0247357  LogD (pH = 7.4) -1.6031221 
Log P 0.15624556  Molar Refractivity 51.7519 cm3
Polarizability 20.895802 Å3 Polar Surface Area 36.95 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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