1-((4-Pyridyl)methyl)piperazine Hydrochloride - CAS 416852-29-4

Catalog:	BB024933
Product Name:	1-((4-Pyridyl)methyl)piperazine Hydrochloride
CAS:	416852-29-4
Synonyms:	1-(pyridin-4-ylmethyl)piperazine;hydrochloride; 1-(pyridin-4-ylmethyl)piperazine;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(pyridin-4-ylmethyl)piperazine;hydrochloride
Description:	1-((4-Pyridyl)methyl)piperazine Hydrochloride (CAS# 416852-29-4 ) is a useful research chemical.
Molecular Weight:	213.71
Molecular Formula:	C10H16ClN3
Canonical SMILES:	C1CN(CCN1)CC2=CC=NC=C2.Cl
InChI:	InChI=1S/C10H15N3.ClH/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13;/h1-4,12H,5-9H2;1H
InChI Key:	OHKRNIHPWOZBJZ-UHFFFAOYSA-N
MDL:	MFCD06801256
LogP:	1.55550

Publication Number	Title	Priority Date
TW-201307349-A	Phthalazinone derivatives, preparation process and pharmaceutical use thereof	20110802
CN-102372698-A	Phthalazinone derivative and its preparation method and use in medicine	20100810
CN-102762549-B	Phthalazinone derivative, and preparation method and pharmaceutical use thereof	20100810
WO-2012019430-A1	Phthalazinone derivative, and preparation method and pharmaceutical use thereof	20100810

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Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.1032752
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	213.1032752
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0