1-(1-Methyl-2-imidazolyl)piperazine - CAS 113049-35-7

Catalog:	BB003094
Product Name:	1-(1-Methyl-2-imidazolyl)piperazine
CAS:	113049-35-7
Synonyms:	1-(1-methyl-2-imidazolyl)piperazine; 1-(1-methylimidazol-2-yl)piperazine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(1-methylimidazol-2-yl)piperazine
Description:	1-(1-Methyl-2-imidazolyl)piperazine (CAS# 113049-35-7) is a useful research chemical. It is also used in the preparation of imidazopyrazine derivatives as antibacterials.
Molecular Weight:	166.22
Molecular Formula:	C8H14N4
Canonical SMILES:	CN1C=CN=C1N2CCNCC2
InChI:	InChI=1S/C8H14N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H3
InChI Key:	OYBUININCBHVPI-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	0.22350

Publication Number	Title	Priority Date
WO-2010092342-A1	Organosilicon compounds and their use as the modulators of the trpv1 receptor	20090210
CA-2633094-A1	Substituted propiolic acid amides and their use for producing analgesics	20051228
DE-102005062986-A1	Substituted propiolic acid amides and their use for the preparation of medicaments	20051228
EP-1968963-A1	Substituted propiolic acid amides and their use for producing analgesics	20051228
EP-1968963-B1	Substituted propiolic acid amides and their use for producing analgesics	20051228

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.121846464
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.121846464
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2