3-Fluoropiperidine - CAS 116574-75-5

Catalog:	BB003770
Product Name:	3-Fluoropiperidine
CAS:	116574-75-5
Synonyms:	3-fluoropiperidine; 3-fluoropiperidine

Technical Data

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Computed Properties

IUPAC Name:	3-fluoropiperidine
Description:	3-Fluoropiperidine (CAS# 116574-75-5) is identified as a potent and selective ubiquitin-like domain-containing C-terminal domain phosphatase 1 (UBLCP1) inhibitor.
Molecular Weight:	103.14
Molecular Formula:	C5H10FN
Canonical SMILES:	C1CC(CNC1)F
InChI:	InChI=1S/C5H10FN/c6-5-2-1-3-7-4-5/h5,7H,1-4H2
InChI Key:	YUKQZLBLVRAJSW-UHFFFAOYSA-N
Boiling Point:	120.2 °C at 760 mmHg
MDL:	MFCD03452799
LogP:	1.03670

Publication Number	Title	Priority Date
WO-2021193950-A1	Carbodiimide composition, hardener composition, coating composition, and cured resin object	20200327
KR-20210048654-A	Bicyclic compound and use thereof	20191023
US-2021107901-A1	Bicyclic amines as cdk2 inhibitors	20191011
WO-2021072232-A1	Bicyclic amines as cdk2 inhibitors	20191011
KR-20210039968-A	Bicyclic compound and use thereof	20191002

PMID	Publication Date	Title	Journal
23007637	20121114	Radiolabelling of 1,4-disubstituted 3-[18F]fluoropiperidines and its application to new radiotracers for NR2B NMDA receptor visualization	Organic & biomolecular chemistry
15662680	20050218	3-Fluoropiperidines and N-methyl-3-fluoropiperidinium salts: the persistence of axial fluorine	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H302 (97.44%): 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:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.079727485
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	103.079727485
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7