Home > Compound List > Compound details
300543-56-0 molecular structure
click picture or here to close

1-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazine

ChemBase ID: 164562
Molecular Formular: C17H19ClN2
Molecular Mass: 286.79916
Monoisotopic Mass: 286.1236763
SMILES and InChIs

SMILES:
c1c(ccc(c1)[C@H](N1CCNCC1)c1ccccc1)Cl
Canonical SMILES:
Clc1ccc(cc1)[C@@H](c1ccccc1)N1CCNCC1
InChI:
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m1/s1
InChIKey:
UZKBSZSTDQSMDR-QGZVFWFLSA-N

Cite this record

CBID:164562 http://www.chembase.cn/molecule-164562.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazine
IUPAC Traditional name
1-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazine
Synonyms
(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine
(R)-1-(p-Chlorobenzhydryl)piperazine
(R)-1-[(4-Chlorophenyl)phenylmethyl]piperazine
CAS Number
300543-56-0
PubChem SID
162258697
PubChem CID
668697

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C379574 external link Add to cart
PubChem 668697 external link
Data Source Data ID Price
TRC
C379574 external link Add to cart Please log in.
Data Source Data ID
PubChem 668697 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6354506  LogD (pH = 7.4) 1.9547936 
Log P 3.766999  Molar Refractivity 84.4437 cm3
Polarizability 33.33446 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C379574 external link
Intermediate in the production of (R)-Cetirizine (C281106).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lewis, T., et al.: Bioorg. Med. Chem. Lett., 14, 2265 (2004)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle