4-(4-fluorobenzoyl)piperidine - CAS 56346-57-7

Catalog:	BB029338
Product Name:	4-(4-fluorobenzoyl)piperidine
CAS:	56346-57-7
Synonyms:	(4-fluorophenyl)-piperidin-4-ylmethanone

Technical Data

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Computed Properties

IUPAC Name:	(4-fluorophenyl)-piperidin-4-ylmethanone
Description:	4-(4-fluorobenzoyl)piperidine (CAS# 56346-57-7) is a useful research chemical.
Molecular Weight:	207.24
Molecular Formula:	C12H14FNO
Canonical SMILES:	C1CNCCC1C(=O)C2=CC=C(C=C2)F
InChI:	InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChI Key:	ABERUOJGWHYBJL-UHFFFAOYSA-N
Boiling Point:	310.7 °C at 760 mmHg
Purity:	95 %
Density:	1.054 g/cm³
LogP:	2.33680

Publication Number	Title	Priority Date
CN-112142760-A	Ketanserin intermediate and preparation method of ketanserin	20201020
CN-108033694-A	Novel silicate cement and preparation method thereof	20171226
WO-2019005883-A1	COMPOSITIONS AND USES THEREOF	20170626
US-2020231551-A1	Compositions and uses thereof	20170626
CN-106866625-A	The preparation method of ketanserin	20170117

PMID	Publication Date	Title	Journal
11354008	20010701	Analyses of [(18)F] altanserin bolus injection PET data. I: consideration of radiolabeled metabolites in baboons	Synapse (New York, N.Y.)

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.105942232
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.105942232
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7