(S)-4-Boc-piperazine-2-acetonitrile - CAS 1589082-06-3
Catalog:
BB011473
Product Name:
(S)-4-Boc-piperazine-2-acetonitrile
CAS:
1589082-06-3
Synonyms:
3-(cyanomethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-(cyanomethyl)piperazine-1-carboxylate
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BB011473
1 g
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IUPAC Name: tert-butyl (3S)-3-(cyanomethyl)piperazine-1-carboxylate
Description: (S)-4-Boc-piperazine-2-acetonitrile (CAS# 1589082-06-3 ) is a useful research chemical.
Molecular Weight: 225.29
Molecular Formula: C11H19N3O2
Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)CC#N
InChI: InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14-7-6-13-9(8-14)4-5-12/h9,13H,4,6-8H2,1-3H3
InChI Key: PQMGXPIFQIFJEX-UHFFFAOYSA-N
Publication Number Title Priority Date
CN-113087700-A Spirocyclic tetrahydroquinazolines 20200108
US-2021230174-A1 Spirocyclic tetrahydroquinazolines 20200108
WO-2021108683-A1 Covalent ras inhibitors and uses thereof 20191127
TW-201938555-A KRAS G12C inhibitor 20171115
US-10689377-B2 KRas G12C inhibitors 20171115
Complexity: 300
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
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: 1
Isotope Atom Count: 0
Monoisotopic Mass: 225.147726857
Rotatable Bond Count: 3
Topological Polar Surface Area: 65.4
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.2
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