2-(4-Boc-piperazinyl)-2-(4-trifluoromethylphenyl)acetic acid - CAS 885274-28-2

Name: 2-(4-Boc-piperazinyl)-2-(4-trifluoromethylphenyl)acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038931
Product Name:	2-(4-Boc-piperazinyl)-2-(4-trifluoromethylphenyl)acetic acid
CAS:	885274-28-2
Synonyms:	2-[4-(t-Butoxycarbonyl)piperazinyl]-2-(4-trifluoromethylphenyl)acetic acid

Technical Data

IUPAC Name:	2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
Description:	2-(4-Boc-piperazinyl)-2-(4-trifluoromethylphenyl)acetic acid (CAS# 885274-28-2) is a useful research chemical.
Molecular Weight:	388.38
Molecular Formula:	C18H23F3N2O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C18H23F3N2O4/c1-17(2,3)27-16(26)23-10-8-22(9-11-23)14(15(24)25)12-4-6-13(7-5-12)18(19,20)21/h4-7,14H,8-11H2,1-3H3,(H,24,25)
InChI Key:	NQRDPCITYZSTPP-UHFFFAOYSA-N
Appearance:	Beige crystalline
Storage:	Store at 2-8 °C
LogP:	3.25960

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Complexity:	532
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	388.16099171
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	388.16099171
Rotatable Bond Count:	5
Topological Polar Surface Area:	70.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8