2-(Boc-aminomethyl)piperidine - CAS 141774-61-0

Catalog:	BB009234
Product Name:	2-(Boc-aminomethyl)piperidine
CAS:	141774-61-0
Synonyms:	tert-butyl N-(piperidin-2-ylmethyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(piperidin-2-ylmethyl)carbamate
Description:	2-(Boc-aminomethyl)piperidine (CAS# 141774-61-0) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCCCN1
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChI Key:	DIRUVVRMWMDZAE-UHFFFAOYSA-N
Boiling Point:	321.8 °C at 760 mmHg
Density:	0.981 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD02181068
LogP:	2.37290

Publication Number	Title	Priority Date
WO-2021194318-A1	Plk1 selective degradation inducing compound	20200327
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2020188478-A1	Rigidified pentadentate chelators useful for the [al18f]2+ labelling of biomolecules	20190318
EP-3608326-A1	Tricyclic inhibitors of hepatitis b virus	20180810
WO-2020030781-A1	Tricyclic inhibitors of hepatitis b virus	20180810

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Related Functional Groups

Piperidines

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[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4