CAS 13754-38-6 | Methanone, phenyl-1-piperazinyl- | CAS Number 13754-38-6

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13754-38-6 | Methanone, phenyl-1-piperazinyl-

CAS No: 13754-38-6 Catalog No: AG0013JE MDL No:MFCD00810192

Product Description

Catalog Number:

AG0013JE

Chemical Name:

Methanone, phenyl-1-piperazinyl-

CAS Number:

13754-38-6

Molecular Formula:

C11H14N2O

Molecular Weight:

190.2417

MDL Number:

MFCD00810192

IUPAC Name:

phenyl(piperazin-1-yl)methanone

InChI:

InChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2

InChI Key:

VUNXBQRNMNVUMV-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)N1CCNCC1

Properties

Complexity:

194

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.246g/mol

Monoisotopic Mass:

190.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
Differentiation of methylbenzylpiperazines (MBPs) and benzoylpiperazine (BNZP) using GC-MS and GC-IRD.	Drug testing and analysis 20120601
Pharmacology of GPR55 in yeast and identification of GSK494581A as a mixed-activity glycine transporter subtype 1 inhibitor and GPR55 agonist.	The Journal of pharmacology and experimental therapeutics 20110401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Heterobiaryl human immunodeficiency virus entry inhibitors.	Journal of medicinal chemistry 20090723
Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors.	Bioorganic & medicinal chemistry letters 20080915