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245663-89-2 | Piperazine, 1-phenyl-4-(1H-pyrrol-2-ylmethyl)-
CAS No: 245663-89-2 Catalog No: AG002OKT MDL No:
Product Description
Catalog Number:
AG002OKT
Chemical Name:
Piperazine, 1-phenyl-4-(1H-pyrrol-2-ylmethyl)-
CAS Number:
245663-89-2
Molecular Formula:
C15H19N3
Molecular Weight:
241.3315
IUPAC Name:
1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine
InChI:
InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
InChI Key:
DCDSVYQQSBWIRG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCN(CC1)Cc1[nH]ccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.338g/mol
Monoisotopic Mass:
241.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 2,4-Disubstituted pyrroles: synthesis, traceless linking and pharmacological investigations leading to the dopamine D4 receptor partial agonist FAUC 356. | Bioorganic & medicinal chemistry letters 20020805 |
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