N-Boc-alpha-methylpiperidine-4-methanamine - CAS 863560-23-0

Catalog:	BB037899
Product Name:	N-Boc-alpha-methylpiperidine-4-methanamine
CAS:	863560-23-0
Synonyms:	N-[1-(4-piperidinyl)ethyl]carbamic acid tert-butyl ester; tert-butyl N-(1-piperidin-4-ylethyl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(1-piperidin-4-ylethyl)carbamate
Description:	N-Boc-alpha-methylpiperidine-4-methanamine (CAS# 863560-23-0) is a useful research chemical.
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CC(C1CCNCC1)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C12H24N2O2/c1-9(10-5-7-13-8-6-10)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChI Key:	KREFOLREHRBMLM-UHFFFAOYSA-N
LogP:	2.61890

Publication Number	Title	Priority Date
WO-2020150385-A1	Antimicrobial compounds and methods	20190116
WO-2019018186-A1	METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE	20170717
US-2020281913-A1	Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof	20170717
US-2015218220-A1	Amatoxin derivatives and cell-permeable conjugates thereof as inhibitors of rna polymerase	20120912
WO-2014043403-A1	Amatoxin derivatives and cell-permeable conjugates thereof as inhibitors of rna polymerase	20120912

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Related Functional Groups

Piperidines

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[1185108-00-2]
Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate hydrochloride
[349624-53-9]
Ethyl 1-[(4-fluorophenyl)sulfonyl]piperidine-3-carboxylate
[330978-94-4]
Ethyl 1-[(4-nitrophenyl)sulfonyl]piperidine-4-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	230
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:	1.7