CAS 60787-05-5 | 1-(4-Methylpiperazin-1-yl)ethanone | CAS Number 60787-05-5

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60787-05-5 | 1-(4-Methylpiperazin-1-yl)ethanone

CAS No: 60787-05-5 Catalog No: AG003DWL MDL No:MFCD01195310

Product Description

Catalog Number:

AG003DWL

Chemical Name:

1-(4-Methylpiperazin-1-yl)ethanone

CAS Number:

60787-05-5

Molecular Formula:

C7H14N2O

Molecular Weight:

142.1989

MDL Number:

MFCD01195310

IUPAC Name:

1-(4-methylpiperazin-1-yl)ethanone

InChI:

InChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3

InChI Key:

YSDBJKNOEWSFGA-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)C(=O)C

Properties

Complexity:

128

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

142.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

142.202g/mol

Monoisotopic Mass:

142.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Exploring the importance of piperazine N-atoms for sigma(2) receptor affinity and activity in a series of analogs of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28).	Journal of medicinal chemistry 20091210