(S)-1-Boc-3-isopropylpiperazine - CAS 475272-54-9

Catalog:	BB026333
Product Name:	(S)-1-Boc-3-isopropylpiperazine
CAS:	475272-54-9
Synonyms:	(3S)-3-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-propan-2-ylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (3S)-3-propan-2-ylpiperazine-1-carboxylate
Description:	(S)-1-Boc-3-isopropylpiperazine (CAS# 475272-54-9) is used in the preparation of heteroaromatic derivatives as PDE4 inhibitors.
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CC(C)C1CN(CCN1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m1/s1
InChI Key:	UHLAQCKNCBYTIF-SNVBAGLBSA-N
Boiling Point:	298.4 °C at 760 mmHg
Density:	0.98 g/cm³
LogP:	2.11800

Publication Number	Title	Priority Date
US-10669272-B2	Substituted naphthyridinone compounds useful as T cell activators	20180627
US-2020109140-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
WO-2020006018-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627
AU-2019291794-A1	Substituted naphthyridinone compounds useful as T cell activators	20180627
CA-3104654-A1	Substituted naphthyridinone compounds useful as t cell activators	20180627

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	228.183778013
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.183778013
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9