N-Boc-piperidine-3-methanol - CAS 116574-71-1

Catalog:	BB003769
Product Name:	N-Boc-piperidine-3-methanol
CAS:	116574-71-1
Synonyms:	tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
Description:	N-Boc-piperidine-3-methanol (CAS# 116574-71-1) is a useful research chemical.
Molecular Weight:	215.29
Molecular Formula:	C11H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)CO
InChI:	InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h9,13H,4-8H2,1-3H3
InChI Key:	OJCLHERKFHHUTB-UHFFFAOYSA-N
Boiling Point:	308 °C at 760 mmHg
Purity:	97.0 %
Density:	1.059 g/cm³
MDL:	MFCD03094733
LogP:	1.56370

Publication Number	Title	Priority Date
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
CN-112574216-A	Compound, preparation method thereof and application thereof in preparing anti-cancer drugs	20201216
WO-2021053158-A1	Novel histone methyltransferase inhibitors	20190918
WO-2021030556-A1	Modulators of cystic fibrosis transmembrane conductance regulator	20190814
WO-2020244452-A1	HETEROCYCLIC DERIVATIVE HAVING Î²2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF	20190606

PMID	Publication Date	Title	Journal
22749281	20120801	Synthesis and in vitro evaluation of [18F](R)-FEPAQ: a potential PET ligand for VEGFR2	Bioorganic & medicinal chemistry letters

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.15214353
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.15214353
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2