3-(Boc-aminomethyl)-3-methylpiperidine - CAS 1158759-24-0

Catalog:	BB003644
Product Name:	3-(Boc-aminomethyl)-3-methylpiperidine
CAS:	1158759-24-0
Synonyms:	N-[(3-methyl-3-piperidinyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate
Description:	3-(Boc-aminomethyl)-3-methylpiperidine (CAS# 1158759-24-0) is a useful research chemical.
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CC1(CCCNC1)CNC(=O)OC(C)(C)C
InChI:	InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)6-5-7-13-8-12/h13H,5-9H2,1-4H3,(H,14,15)
InChI Key:	AFBJLLMPAKKANC-UHFFFAOYSA-N
LogP:	2.43400

Publication Number	Title	Priority Date
US-2021309657-A1	Tricyclic compounds for the treatment and prophylaxis of bacterial infection	20181127
WO-2020048605-A1	Novel pyrrolidine amine compounds for the treatment of autoimmune disease	20180907
EP-3847165-A1	Novel pyrrolidine amine compounds for the treatment of autoimmune disease	20180907
US-2021253575-A1	Pyrrolidine amine compounds for the treatment of autoimmune disease	20180907
EP-2925322-B1	Inhibitors of the renal outer medullary potassium channel	20121129

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Related Functional Groups

Piperidines

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1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride
[1172760-90-5]
Ethyl 1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylate

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:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.183778013
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6