1-Benzyl-4-(Boc-amino)piperidine - CAS 73889-19-7

Catalog:	BB034945
Product Name:	1-Benzyl-4-(Boc-amino)piperidine
CAS:	73889-19-7
Synonyms:	N-[1-(phenylmethyl)-4-piperidinyl]carbamic acid tert-butyl ester; tert-butyl N-(1-benzylpiperidin-4-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(1-benzylpiperidin-4-yl)carbamate
Description:	1-Benzyl-4-(Boc-amino)piperidine (CAS# 73889-19-7) is a useful research chemical.
Molecular Weight:	290.40
Molecular Formula:	C17H26N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCN(CC1)CC2=CC=CC=C2
InChI:	InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)
InChI Key:	WFKLUNLIZMWKNF-UHFFFAOYSA-N
Boiling Point:	400.9 °C at 760 mmHg
Density:	1.07 g/cm³
MDL:	MFCD03093979
LogP:	3.50450

Publication Number	Title	Priority Date
CN-111484479-A	Nitrogen heterocyclic compound, pharmaceutical composition containing nitrogen heterocyclic compound, preparation method and application of nitrogen heterocyclic compound	20190125
WO-2019103050-A1	Protein-binding drug	20171121
AU-2016324483-A1	Methods and compositions of inhibiting DCN1-UBC12 interaction	20150918
CA-2998753-A1	Methods and compositions of inhibiting dcn1-ubc12 interaction	20150918
EP-3349743-A1	Methods and compositions of inhibiting dcn1-ubc12 interaction	20150918

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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	324
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.199428076
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	290.199428076
Rotatable Bond Count:	5
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3