(R)-1-Boc-2-phenylpiperazine - CAS 859518-32-4

Catalog:	BB037777
Product Name:	(R)-1-Boc-2-phenylpiperazine
CAS:	859518-32-4
Synonyms:	2-phenyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-phenylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-phenylpiperazine-1-carboxylate
Description:	(R)-1-Boc-2-phenylpiperazine (CAS# 859518-32-4) is a useful research chemical.
Molecular Weight:	262.35
Molecular Formula:	C15H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNCC1C2=CC=CC=C2
InChI:	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-11-13(17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChI Key:	DVOURBIBCQYVCC-UHFFFAOYSA-N
Boiling Point:	376.2 °C at 760 mmHg
Density:	1.071 g/cm³
LogP:	2.83470

Publication Number	Title	Priority Date
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
WO-2020163554-A1	Il-17a modulators and uses thereof	20190206
WO-2020056198-A2	Substituted benzazepine compounds, conjugates, and uses thereof	20180912

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.168127949
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2