1-(4-Chloro-2-fluorophenyl)piperazine - CAS 515160-75-5

Catalog:	BB027468
Product Name:	1-(4-Chloro-2-fluorophenyl)piperazine
CAS:	515160-75-5
Synonyms:	1-(4-chloro-2-fluorophenyl)piperazine; 1-(4-chloro-2-fluorophenyl)piperazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-chloro-2-fluorophenyl)piperazine
Description:	1-(4-Chloro-2-fluorophenyl)piperazine (CAS# 515160-75-5 ) is a useful research chemical.
Molecular Weight:	214.67
Molecular Formula:	C10H12ClFN2
Canonical SMILES:	C1CN(CCN1)C2=C(C=C(C=C2)Cl)F
InChI:	InChI=1S/C10H12ClFN2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChI Key:	IPILNCXNYGCVDJ-UHFFFAOYSA-N
Boiling Point:	122-125 °C
Density:	1.234 g/cm³
LogP:	2.28250

Publication Number	Title	Priority Date
WO-2021127337-A1	Trpml modulators	20191219
EP-3821947-A1	Heterocyclic trpml1 agonists	20191113
WO-2021094974-A1	Heterocyclic trpml1 agonists	20191113
US-2020399271-A1	Xanthine analogs as potent anti-west nile viral agents	20190620
WO-2020210630-A1	Tricyclic degraders of ikaros and aiolos	20190412

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Related Functional Groups

Piperazines

[55513-17-2]
1-(3,4-Dichlorobenzyl)piperazine
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[120-43-4]
Ethyl 1-piperazinecarboxylate
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1423024-26-3]
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride
[510725-49-2]
1-(Pyridin-3-ylmethyl)piperazine hydroChloride

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0673042
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.0673042
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1