1-(2,2,2-Trifluoroethyl)piperidine-4-methanol - CAS 831169-69-8

Catalog:	BB036968
Product Name:	1-(2,2,2-Trifluoroethyl)piperidine-4-methanol
CAS:	831169-69-8
Synonyms:	[1-(2,2,2-trifluoroethyl)-4-piperidinyl]methanol; [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol
Description:	1-(2,2,2-Trifluoroethyl)piperidine-4-methanol (CAS# 831169-69-8) is a useful research chemical.
Molecular Weight:	197.20
Molecular Formula:	C8H14F3NO
Canonical SMILES:	C1CN(CCC1CO)CC(F)(F)F
InChI:	InChI=1S/C8H14F3NO/c9-8(10,11)6-12-3-1-7(5-13)2-4-12/h7,13H,1-6H2
InChI Key:	CJUSUBQANRFWAA-UHFFFAOYSA-N
LogP:	1.19090

Publication Number	Title	Priority Date
CA-3039059-A1	Synthesis of inhibitors of ezh2	20161019
CN-109843870-A	The synthesis of EZH2 inhibitor	20161019
EP-3529242-A1	Synthesis of inhibitors of ezh2	20161019
US-10457640-B2	Synthesis of inhibitors of EZH2	20161019
US-2019233375-A1	Synthesis of inhibitors of ezh2	20161019

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.10274856
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.10274856
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4