1-Boc-4-cyanomethyl piperazine - CAS 77290-31-4

Catalog:	BB035874
Product Name:	1-Boc-4-cyanomethyl piperazine
CAS:	77290-31-4
Synonyms:	4-(cyanomethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(cyanomethyl)piperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(cyanomethyl)piperazine-1-carboxylate
Description:	1-Boc-4-cyanomethyl piperazine (CAS# 77290-31-4) is a useful research chemical.
Molecular Weight:	225.29
Molecular Formula:	C11H19N3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)CC#N
InChI:	InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h5-9H2,1-3H3
InChI Key:	OJUKCGDZZNLDPC-UHFFFAOYSA-N
Boiling Point:	327.887 ℃ at 760 mmHg
Density:	1.09 g/cm³
Appearance:	White to off-white powder
MDL:	MFCD06795916
LogP:	0.93848

Publication Number	Title	Priority Date
WO-2020092196-A1	Amide-substituted heterocyclic compounds for the treatment of conditions related to the modulation of il-12, il-23 and/or ifn-alpha	20181030
CN-113227071-A	Amide-substituted heterocyclic compounds for the treatment of disorders associated with the modulation of IL-12, IL-23 and/or IFN-alpha	20181030
EP-3873892-A1	Amide-substituted heterocyclic compounds for the treatment of conditions related to the modulation of il-12, il-23 and/or ifn-alpha	20181030
KR-20210086674-A	Amide-substituted heterocyclic compounds for the treatment of conditions associated with modulation of IL-12, IL-23 and/or IFN-alpha	20181030
EP-3619210-A1	Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof	20170501

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Complexity:	292
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.147726857
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.147726857
Rotatable Bond Count:	3
Topological Polar Surface Area:	56.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7