1-Cyclohexylpiperazine - CAS 17766-28-8

Catalog:	BB013319
Product Name:	1-Cyclohexylpiperazine
CAS:	17766-28-8
Synonyms:	1-cyclohexylpiperazine

Technical Data

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Computed Properties

IUPAC Name:	1-cyclohexylpiperazine
Description:	1-Cyclohexylpiperazine (CAS# 17766-28-8) is an σ1 and σ2 receptor ligands with diagnostic and therapeutic potentials.
Molecular Weight:	168.28
Molecular Formula:	C10H20N2
Canonical SMILES:	C1CCC(CC1)N2CCNCC2
InChI:	InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
InChI Key:	XPDSXKIDJNKIQY-UHFFFAOYSA-N
Boiling Point:	255.7 °C at 760 mmHg
Density:	0.969 g/cm³
MDL:	MFCD00044809
LogP:	1.49100

Publication Number	Title	Priority Date
WO-2021021000-A1	Method for producing avatrombopag	20190801
WO-2020248075-A1	Targeting dna repair in tumor cells via inhibition of ercc1-xpf	20190612
WO-2020240493-A1	1,3,4-oxadiazole homophthalimide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20190531
WO-2020059841-A1	Therapeutic agent for prion diseases	20180921
EP-3816164-A1	Isothiazolo[5,4-d]pyrimidine compound as irak4 inhibitor	20180625

PMID	Publication Date	Title	Journal
21069657	20110103	1-Cyclohexyl-4-(4-arylcyclohexyl)piperazines: Mixed σ and human Δ(8)-Δ(7) sterol isomerase ligands with antiproliferative and P-glycoprotein inhibitory activity	ChemMedChem
19890942	20100101	Complete experimental and theoretical proton and carbon nuclear magnetic resonance spectral assignments, molecular structure and conformational study of 1-cyclohexylpiperazine and 1-(4-pyridyl)piperazine	Magnetic resonance in chemistry : MRC
19842660	20091210	Exploring the importance of piperazine N-atoms for sigma(2) receptor affinity and activity in a series of analogs of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28)	Journal of medicinal chemistry
20021355	20090901	1-Cyclohexylpiperazine and 3,3-dimethylpiperidine derivatives as sigma-1 (sigma1) and sigma-2 (sigma2) receptor ligands: a review	Central nervous system agents in medicinal chemistry
19140144	20090201	Multi-drug-resistance-reverting agents: 2-aryloxazole and 2-arylthiazole derivatives as potent BCRP or MRP1 inhibitors	ChemMedChem

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GHS Hazard Statement:	H315 (95.24%): 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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.162648646
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.162648646
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4