2-[(4-Methyl-1-piperazinyl)methyl]aniline - CAS 19577-84-5

Catalog:	BB015172
Product Name:	2-[(4-Methyl-1-piperazinyl)methyl]aniline
CAS:	19577-84-5
Synonyms:	2-[(4-methyl-1-piperazinyl)methyl]aniline; 2-[(4-methylpiperazin-1-yl)methyl]aniline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-[(4-methylpiperazin-1-yl)methyl]aniline
Description:	2-[(4-Methyl-1-piperazinyl)methyl]aniline (CAS# 19577-84-5) is a useful research chemical.
Molecular Weight:	205.30
Molecular Formula:	C12H19N3
Canonical SMILES:	CN1CCN(CC1)CC2=CC=CC=C2N
InChI:	InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10,13H2,1H3
InChI Key:	FRPRBZVFSKUCPZ-UHFFFAOYSA-N
Boiling Point:	331.5 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD06804544
LogP:	1.47320

Publication Number	Title	Priority Date
EP-3056202-A1	Benzopyrrolidone derivatives possessing antiviral and anticancer properties	20150216
WO-2016131789-A1	Benzopyrrolidone derivatives possessing antiviral and anticancer properties	20150216
AU-2015369712-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
US-10703746-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
KR-101570996-B1	Substituted oxindole derivatives and the use thereof for the treatment of vasopressin-dependent illnesses	20071227

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.157897619
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.157897619
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9