2-(4-Boc-piperazinyl)-2-(3-fluorophenyl)acetic acid - CAS 885272-91-3

Name: 2-(4-Boc-piperazinyl)-2-(3-fluorophenyl)acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038925
Product Name:	2-(4-Boc-piperazinyl)-2-(3-fluorophenyl)acetic acid
CAS:	885272-91-3
Synonyms:	2-[4-(t-Butoxycarbonyl)piperazinyl]-2-(3-fluorophenyl)acetic acid

Technical Data

IUPAC Name:	2-(3-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
Description:	2-(4-Boc-piperazinyl)-2-(3-fluorophenyl)acetic acid (CAS# 885272-91-3) is a useful research chemical compound.
Molecular Weight:	338.37
Molecular Formula:	C17H23FN2O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC(=CC=C2)F)C(=O)O
InChI:	InChI=1S/C17H23FN2O4/c1-17(2,3)24-16(23)20-9-7-19(8-10-20)14(15(21)22)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)
InChI Key:	PPGHGFHJSQSOJP-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Light grey powder
Storage:	Store at 2-8 °C
LogP:	2.37990

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Complexity:	458
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	338.16418538
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	338.16418538
Rotatable Bond Count:	5
Topological Polar Surface Area:	70.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0