1-(6-Bromo-3-pyridyl)-4-methylpiperazine - CAS 879488-53-6

Catalog:	BB038696
Product Name:	1-(6-Bromo-3-pyridyl)-4-methylpiperazine
CAS:	879488-53-6
Synonyms:	1-(6-bromo-3-pyridinyl)-4-methylpiperazine; 1-(6-bromopyridin-3-yl)-4-methylpiperazine

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Computed Properties

IUPAC Name:	1-(6-bromopyridin-3-yl)-4-methylpiperazine
Description:	1-(6-Bromo-3-pyridyl)-4-methylpiperazine (CAS# 879488-53-6) is a useful synthetic compound.
Molecular Weight:	256.14
Molecular Formula:	C10H14BrN3
Canonical SMILES:	CN1CCN(CC1)C2=CN=C(C=C2)Br
InChI:	InChI=1S/C10H14BrN3/c1-13-4-6-14(7-5-13)9-2-3-10(11)12-8-9/h2-3,8H,4-7H2,1H3
InChI Key:	VCDWKCPGKQANIF-UHFFFAOYSA-N
LogP:	1.59880

Publication Number	Title	Priority Date
EP-1798229-A1	Substituted biphenyl derivative	20040907
JP-2006104191-A	Substituted biphenyl derivatives	20040907
US-2007275968-A1	Substituted Biphenyl Derivative	20040907

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.03711
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.03711
Rotatable Bond Count:	1
Topological Polar Surface Area:	19.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8