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1240582-84-6 molecular structure
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(2R)-2-[(4-chlorophenyl)methyl]piperazine

ChemBase ID: 807931
Molecular Formular: C11H15ClN2
Molecular Mass: 210.7032
Monoisotopic Mass: 210.09237617
SMILES and InChIs

SMILES:
[C@H]1(CNCCN1)Cc1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)C[C@H]1NCCNC1
InChI:
InChI=1S/C11H15ClN2/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13-14H,5-8H2/t11-/m1/s1
InChIKey:
NCKDJZCVHKZFSG-LLVKDONJSA-N

Cite this record

CBID:807931 http://www.chembase.cn/molecule-807931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-[(4-chlorophenyl)methyl]piperazine
IUPAC Traditional name
(2R)-2-[(4-chlorophenyl)methyl]piperazine
Synonyms
(R)-2-(4-CHLORO-BENZYL)-PIPERAZINE
CAS Number
1240582-84-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26093 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26093 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) -1.3132555  LogD (pH = 7.4) 0.030223712 
Log P 1.9481392  Molar Refractivity 59.2914 cm3
Polarizability 23.64134 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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