[1,4'-Bipiperidin]-2-one - CAS 159874-26-7

Catalog:	BB011578
Product Name:	[1,4'-Bipiperidin]-2-one
CAS:	159874-26-7
Synonyms:	1-(4-piperidinyl)-2-piperidinone; 1-piperidin-4-ylpiperidin-2-one

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Computed Properties

IUPAC Name:	1-piperidin-4-ylpiperidin-2-one
Description:	[1,4'-Bipiperidin]-2-one (CAS# 159874-26-7) is a useful research chemical.
Molecular Weight:	182.26
Molecular Formula:	C10H18N2O
Canonical SMILES:	C1CCN(C(=O)C1)C2CCNCC2
InChI:	InChI=1S/C10H18N2O/c13-10-3-1-2-8-12(10)9-4-6-11-7-5-9/h9,11H,1-8H2
InChI Key:	FCGOUOJEQGSCEI-UHFFFAOYSA-N
Boiling Point:	335.272 °C at 760 mmHg
Density:	1.071 g/cm³
LogP:	1.01760

Publication Number	Title	Priority Date
US-2020002328-A1	Pharmaceutical compounds	20180622
US-10787447-B2	Pharmaceutical compounds	20180622
US-2021002271-A1	Pharmaceutical compounds	20180622
US-2019084959-A1	Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as aoc3 inhibitors	20160303
EP-3423436-B1	Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as aoc3 inhibitors	20160303

PMID	Publication Date	Title	Journal
12127519	20020819	Identification of a novel 1'-[5-((3,5-dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4'-bipiperidine) as a dual NK(1)/NK(2) antagonist	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Piperidines

[362489-61-0]
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[313685-03-9]
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[869951-27-9]
Ethyl 1-(ethylsulfonyl)piperidine-3-carboxylate
[832118-87-3]
Ethyl 1-(ethylsulfonyl)piperidine-4-carboxylate
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[1363166-24-8]
Ethyl 1-Boc-3-isopropylpiperidine-3-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.141913202
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.141913202
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3