(S)-1-Boc-3-ethynylpiperidine - CAS 287192-98-7

Catalog:	BB019925
Product Name:	(S)-1-Boc-3-ethynylpiperidine
CAS:	287192-98-7
Synonyms:	(3S)-3-ethynyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-ethynylpiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (3S)-3-ethynylpiperidine-1-carboxylate
Description:	(S)-1-Boc-3-ethynylpiperidine (CAS# 287192-98-7 ) is a useful research chemical.
Molecular Weight:	209.28
Molecular Formula:	C12H19NO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)C#C
InChI:	InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3/t10-/m1/s1
InChI Key:	IJHRDEPFBAXIMW-SNVBAGLBSA-N
LogP:	2.20460

Publication Number	Title	Priority Date
US-2020361906-A1	Inhibitors of cyclin-dependent kinase 12 (cdk12) and uses thereof	20161122
EP-2632268-A2	Novel compounds that are erk inhibitors	20101029
EP-3536319-A1	Novel compounds that are erk inhibitors	20101029
US-2013237518-A1	Novel compounds that are erk inhibitors	20101029
US-8999966-B2	Compounds that are ERK inhibitors	20101029

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Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	209.141578849
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.141578849
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2