1-(Cyclohexylcarbonyl)piperazine - CAS 27561-62-2

Catalog:	BB019610
Product Name:	1-(Cyclohexylcarbonyl)piperazine
CAS:	27561-62-2
Synonyms:	cyclohexyl(piperazin-1-yl)methanone

Technical Data

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Computed Properties

IUPAC Name:	cyclohexyl(piperazin-1-yl)methanone
Description:	1-(Cyclohexylcarbonyl)piperazine (CAS# 27561-62-2) is a useful research chemical.
Molecular Weight:	196.29
Molecular Formula:	C11H20N2O
Canonical SMILES:	C1CCC(CC1)C(=O)N2CCNCC2
InChI:	InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2
InChI Key:	ZSZROXCAFYZNHE-UHFFFAOYSA-N
Boiling Point:	350.5 °C at 760 mmHg
Purity:	≥ 97 %
Density:	1.047 g/cm³
Appearance:	White to brown solid
MDL:	MFCD06798113
LogP:	1.26520

Publication Number	Title	Priority Date
KR-102293986-B1	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
KR-20210052330-A	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
WO-2021086077-A1	Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease	20191030
CN-107286166-A	Replace 1,3,4,5- tetrahydrochysene -6H- pyrrolo-es [4,3,2-EF] [2] benzo-aza -6- ketone derivatives	20160411
CN-107286174-A	Substitution 2,4- (1H, 3H) hybar Xs are used as PARP inhibitor and its application	20160411

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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.157563266
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.157563266
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1