(S)-1-Boc-3-benzyl-piperazine - CAS 475272-55-0

Catalog:	BB026334
Product Name:	(S)-1-Boc-3-benzyl-piperazine
CAS:	475272-55-0
Synonyms:	(3S)-3-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-benzylpiperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl (3S)-3-benzylpiperazine-1-carboxylate
Description:	(S)-1-Boc-3-benzyl-piperazine (CAS# 475272-55-0) is a useful research chemical compound.
Molecular Weight:	276.37
Molecular Formula:	C16H24N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNC(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-14(12-18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChI Key:	YFIAVMMGSRDLLG-AWEZNQCLSA-N
Boiling Point:	379.8 °C at 760 mmHg
Density:	1.066 g/cm³
MDL:	MFCD07772102
LogP:	2.70470

Publication Number	Title	Priority Date
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
WO-2020163554-A1	Il-17a modulators and uses thereof	20190206
TW-202045481-A	Il-17a modulators and uses thereof	20190206
CN-104046246-A	Chemical Mechanical Planarization for Tungsten-Containing Substrates	20130312
CN-104046246-B	The chemical-mechanical planarization of tungsten-containing substrate	20130312

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Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	276.183778013
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.183778013
Rotatable Bond Count:	4
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5