(S)-1-Boc-2-Methylpiperazine - CAS 169447-70-5

Catalog:	BB012547
Product Name:	(S)-1-Boc-2-Methylpiperazine
CAS:	169447-70-5
Synonyms:	(2S)-2-methyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-methylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (2S)-2-methylpiperazine-1-carboxylate
Description:	Used in the preparation of pyrazolo[3,4-b]pyridine dual pharmacophores as PDE4-muscarinic antagonists.
Molecular Weight:	200.28
Molecular Formula:	C10H20N2O2
Canonical SMILES:	CC1CNCCN1C(=O)OC(C)(C)C
InChI:	InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChI Key:	DATRVIMZZZVHMP-QMMMGPOBSA-N
Boiling Point:	268.74 ℃ at 760 mmHg
Density:	0.998 g/cm³
MDL:	MFCD01862121
LogP:	1.48190

Publication Number	Title	Priority Date
CN-111423454-A	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
CN-111423454-B	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321
US-2021299128-A1	Compounds for treating or inhibiting recurrence of acute myeloid leukemia	20200316

PMID	Publication Date	Title	Journal
15755647	20050401	Syntheses of quinolone hydrochloride enantiomers from synthons (R)- and (S)-2-methylpiperazine	Bioorganic & medicinal chemistry

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Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	200.152477885
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.152477885
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9