1-Benzyl-2-piperidone - CAS 4783-65-7

Catalog:	BB026408
Product Name:	1-Benzyl-2-piperidone
CAS:	4783-65-7
Synonyms:	1-benzylpiperidin-2-one

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Computed Properties

IUPAC Name:	1-benzylpiperidin-2-one
Description:	1-Benzyl-2-piperidone (CAS# 4783-65-7) is a useful reactant/reagent for organic synthesis.
Molecular Weight:	189.25
Molecular Formula:	C12H15NO
Canonical SMILES:	C1CCN(C(=O)C1)CC2=CC=CC=C2
InChI:	InChI=1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChI Key:	MLEGMEBCXGDFQT-UHFFFAOYSA-N
Boiling Point:	147 °C / 0.125 mmHg (lit.)
Density:	1.07 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00464162
LogP:	2.13700

Publication Number	Title	Priority Date
CN-112575044-A	Method for preparing CDK4/6 inhibitor key intermediate by chemical-enzymatic method	20201229
CN-112608299-A	Synthesis method of 4- (6-aminopyridine-3-yl) piperidine-1-tert-butyl formate	20201224
CN-112538042-A	Preparation method of haloperidol	20201215
CN-110540535-A	process suitable for preparing 4- (6-aminopyridin-3-yl) substituted piperidine in amplification way	20191023
CN-110540535-B	Process suitable for preparing 4- (6-aminopyridin-3-yl) substituted piperidine in amplification way	20191023

PMID	Publication Date	Title	Journal
15638489	20050101	Strategy for the synthesis of polymeric supports with hydrazone linkers for solid-phase alkylation of ketones and aldehydes	Journal of combinatorial chemistry

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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:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.115364102
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6