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208655-19-0 molecular structure
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(2S)-2-benzylpiperazine

ChemBase ID: 807903
Molecular Formular: C11H16N2
Molecular Mass: 176.25814
Monoisotopic Mass: 176.13134852
SMILES and InChIs

SMILES:
[C@@H]1(CNCCN1)Cc1ccccc1
Canonical SMILES:
N1CCN[C@H](C1)Cc1ccccc1
InChI:
InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-13H,6-9H2/t11-/m0/s1
InChIKey:
RITMXTLCKYLIKW-NSHDSACASA-N

Cite this record

CBID:807903 http://www.chembase.cn/molecule-807903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-benzylpiperazine
IUPAC Traditional name
(2S)-2-benzylpiperazine
Synonyms
(S)-2-BENZYL-PIPERAZINE
CAS Number
208655-19-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26065 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26065 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) -1.9334997  LogD (pH = 7.4) -0.5955445 
Log P 1.3440945  Molar Refractivity 54.4866 cm3
Polarizability 21.828024 Å3 Polar Surface Area 24.06 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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