CAS 145208-85-1 | Piperazine, 1-methyl-4-(2-pyridinyl)- | CAS Number 145208-85-1

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145208-85-1 | Piperazine, 1-methyl-4-(2-pyridinyl)-

CAS No: 145208-85-1 Catalog No: AG001KO9 MDL No:

Product Description

Catalog Number:

AG001KO9

Chemical Name:

Piperazine, 1-methyl-4-(2-pyridinyl)-

CAS Number:

145208-85-1

Molecular Formula:

C10H15N3

Molecular Weight:

177.2462

IUPAC Name:

1-methyl-4-pyridin-2-ylpiperazine

InChI:

InChI=1S/C10H15N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-5H,6-9H2,1H3

InChI Key:

MDHKWAZLVNUABG-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)c1ccccn1

Properties

Complexity:

152

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.251g/mol

Monoisotopic Mass:

177.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

19.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP).	Journal of medicinal chemistry 20011108
Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives.	Journal of medicinal chemistry 19980226