1-Benzyl-3,3-difluoropiperidine-4,4-diol - CAS 1067914-81-1

Catalog:	BB001922
Product Name:	1-Benzyl-3,3-difluoropiperidine-4,4-diol
CAS:	1067914-81-1
Synonyms:	3,3-difluoro-1-(phenylmethyl)piperidine-4,4-diol; 1-benzyl-3,3-difluoropiperidine-4,4-diol

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzyl-3,3-difluoropiperidine-4,4-diol
Description:	1-Benzyl-3,3-difluoropiperidine-4,4-diol (CAS# 1067914-81-1) is a useful research chemical.
Molecular Weight:	243.25
Molecular Formula:	C12H15F2NO2
Canonical SMILES:	C1CN(CC(C1(O)O)(F)F)CC2=CC=CC=C2
InChI:	InChI=1S/C12H15F2NO2/c13-11(14)9-15(7-6-12(11,16)17)8-10-4-2-1-3-5-10/h1-5,16-17H,6-9H2
InChI Key:	VUYVXSSPDOWKFE-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	1.14640

Publication Number	Title	Priority Date
WO-2019196622-A1	5-substituted difluoropiperidine compound capable of passing through blood-brain barrier	20180409
EP-3778589-A1	5-substituted difluoropiperidine compound capable of passing through blood-brain barrier	20180409
WO-2019196619-A1	Quinazoline derivative salt-form crystal form, and preparation method therefor and application thereof	20180408
EP-3544610-A1	Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders	20161122
US-2019298725-A1	Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders	20161122

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Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.10708505
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.10708505
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2