(S)-1-Boc-3-ethylpiperazine - CAS 928025-56-3

Catalog:	BB040644
Product Name:	(S)-1-Boc-3-ethylpiperazine
CAS:	928025-56-3
Synonyms:	(3S)-3-ethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-ethylpiperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl (3S)-3-ethylpiperazine-1-carboxylate
Description:	(S)-1-Boc-3-ethylpiperazine (CAS# 928025-56-3) is a useful research chemical compound.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CCC1CN(CCN1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H22N2O2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChI Key:	DXJOJUNLMJMJSN-VIFPVBQESA-N
Boiling Point:	286.7 °C at 760 mmHg
Density:	0.981 g/cm³
LogP:	1.87200

Publication Number	Title	Priority Date
CN-112159405-A	Pyridopyrimidinone compounds and application thereof	20200204
CN-112159405-B	Pyridopyrimidinone compounds and application thereof	20200204
US-2021188844-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
US-10669272-B2	Substituted naphthyridinone compounds useful as T cell activators	20180627
US-2020109140-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4