1-(4-Piperidyl)piperazine - CAS 142013-66-9

Catalog:	BB009283
Product Name:	1-(4-Piperidyl)piperazine
CAS:	142013-66-9
Synonyms:	1-(4-piperidinyl)piperazine; 1-piperidin-4-ylpiperazine

Technical Data

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Computed Properties

IUPAC Name:	1-piperidin-4-ylpiperazine
Description:	1-(4-Piperidyl)piperazine (CAS# 142013-66-9 ) is a useful research chemical.
Molecular Weight:	169.27
Molecular Formula:	C9H19N3
Canonical SMILES:	C1CNCCC1N2CCNCC2
InChI:	InChI=1S/C9H19N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h9-11H,1-8H2
InChI Key:	ZHYYBDZASCMDMP-UHFFFAOYSA-N
Boiling Point:	275.3 °C at 760 mmHg
Density:	0.997 g/cm³
MDL:	MFCD11518985
LogP:	0.23910

Publication Number	Title	Priority Date
CN-110965374-A	Environment-friendly chlorine-resistant color fixing agent and preparation method thereof	20191220
CN-110143995-A	Azacyclo- replaces 18 Î²-Enoxolone derivative and its preparation and application	20190603
US-2020352917-A1	Medicated spray for treatment of substance abuse, overdose, addiction and impulse control disorders	20190506
WO-2020216371-A1	Egfr inhibitor and application thereof	20190426
WO-2020207260-A1	Cdk inhibitor and application thereof	20190408

PMID	Publication Date	Title	Journal
21324704	20110301	Discovery of novel (4-piperidinyl)-piperazines as potent and orally active acetyl-CoA carboxylase 1/2 non-selective inhibitors: F-Boc and triF-Boc groups are acid-stable bioisosteres for the Boc group	Bioorganic & medicinal chemistry
20537533	20100701	Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors	Bioorganic & medicinal chemistry letters
19853443	20091201	(4-Piperidinyl)-piperazine: a new platform for acetyl-CoA carboxylase inhibitors	Bioorganic & medicinal chemistry letters
15084128	20040422	Bisguanidine, bis(2-aminoimidazoline), and polyamine derivatives as potent and selective chemotherapeutic agents against Trypanosoma brucei rhodesiense. Synthesis and in vitro evaluation	Journal of medicinal chemistry

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.157897619
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.157897619
Rotatable Bond Count:	1
Topological Polar Surface Area:	27.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3