1-Benzyl-5-methyl-3-piperidinone - CAS 1290047-51-6

Catalog:	BB006962
Product Name:	1-Benzyl-5-methyl-3-piperidinone
CAS:	1290047-51-6
Synonyms:	5-methyl-1-(phenylmethyl)-3-piperidinone; 1-benzyl-5-methylpiperidin-3-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-benzyl-5-methylpiperidin-3-one
Description:	1-Benzyl-5-methyl-3-piperidinone (CAS# 1290047-51-6) is used in the preparation of diazepanone which is used as chemokine receptor antagonists for treatment of inflammatory diseases.
Molecular Weight:	203.28
Molecular Formula:	C13H17NO
Canonical SMILES:	CC1CC(=O)CN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C13H17NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChI Key:	LQHLLGBMPQNQLJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021052892-A1	Piperidinyl amine compounds for the treatment of autoimmune disease	20190916
BR-112020014177-A2	NITROGENATED HETEROCYCLIC AMIDE COMPOUND AND USE OF THE SAME FOR MEDICAL PURPOSES	20180201
EP-3497094-A1	Tlr7/8 antagonists and uses thereof	20160808
JP-2019527718-A	TLR7 / 8 antagonists and their use	20160808
US-2018037570-A1	Tlr7/8 antagonists and uses thereof	20160808

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Related Functional Groups

Piperidones

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[117565-57-8]
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[1267039-62-2]
3-(2-Chlorophenyl)-2-piperidone
[324769-06-4]
N-Boc-3,3-dimethyl-4-piperidone
[117623-50-4]
1-Benzyl-2,2-dimethyl-4-piperidone Hydrochloride
[50607-30-2]
2,4-Piperidinedione

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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:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.131014166
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.131014166
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1