(S)-1-Boc-2-benzylpiperazine - CAS 169447-86-3

Name: (S)-1-Boc-2-benzylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012548
Product Name:	(S)-1-Boc-2-benzylpiperazine
CAS:	169447-86-3
Synonyms:	(2S)-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-benzylpiperazine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl (2S)-2-benzylpiperazine-1-carboxylate
Description:	(S)-1-Boc-2-benzylpiperazine (CAS# 169447-86-3) is a useful research chemical.
Molecular Weight:	276.37
Molecular Formula:	C16H24N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNCC1CC2=CC=CC=C2
InChI:	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChI Key:	QKUHUJCLUFLGCI-AWEZNQCLSA-N
Boiling Point:	382.9 °C at 760 mmHg
Density:	1.066 g/cm³
Appearance:	White solid
LogP:	2.70470

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Related Functional Groups

Piperazines

[25629-32-7]C6H10N2O3
(3-Oxopiperazin-1-yl)acetic acid
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1187874-30-1]C15H15F3N4O
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1217482-26-2]C5H14Cl2N2O
(R)-piperazin-2-ylmethanol dihydrochloride
[120-43-4]C7H14N2O2
Ethyl 1-piperazinecarboxylate
[27106-51-0]C11H16N2O2S
1-(Toluene-4-sulfonyl)piperazine

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5