1-Benzyl-3-methyl-4-piperidone - CAS 34737-89-8

Catalog:	BB022265
Product Name:	1-Benzyl-3-methyl-4-piperidone
CAS:	34737-89-8
Synonyms:	3-methyl-1-(phenylmethyl)-4-piperidinone; 1-benzyl-3-methylpiperidin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-benzyl-3-methylpiperidin-4-one
Description:	A piperidine derivative used in the preparation of Fentanyl (F274990) analogs with analgesic activity.
Molecular Weight:	203.28
Molecular Formula:	C13H17NO
Canonical SMILES:	CC1CN(CCC1=O)CC2=CC=CC=C2
InChI:	InChI=1S/C13H17NO/c1-11-9-14(8-7-13(11)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChI Key:	OVQAJYCAXPHYNV-UHFFFAOYSA-N
Boiling Point:	314.9 °C at 760 mmHg
Density:	1.057 g/cm³
MDL:	MFCD00044806
LogP:	2.03540

Publication Number	Title	Priority Date
US-2021188845-A1	Substituted bicyclic compounds useful as t cell activators	20191223
WO-2021133750-A1	Substituted bicyclic piperidine derivatives useful as t cell activators	20191223
WO-2021126725-A1	Novel substituted 1,3,8-triazaspiro[4,5]decane-2,4-dione compounds as indoleamine 2,3-dioxygenase (ido) and/or tryptophan 2,3-dioxygenase (tdo) inhibitors	20191217
KR-20190120112-A	Intermediates of chiral piperidine derivatives and preparation method thereof	20191008
WO-2021003398-A1	Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof	20190703

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Related Functional Groups

Piperidones

[1454-53-1]
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride
[518990-24-4]
Ethyl 2-Oxo-2-(1-Boc-4-oxo-3-piperidyl)acetate
[3731-16-6]
Ethyl 2-oxo-3-piperidinecarboxylate
[1782749-88-5]
2-(3-Bromobenzyl)-3-piperidinone
[87922-76-7]
5-(3-Chlorophenyl)-2-piperidone
[1070896-59-1]
3-Fluoro-4-piperidone Hydrochloride

GHS Hazard Statement:	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

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:	1.8