(±)-trans-1-Allyl-2,5-dimethylpiperazine - CAS 155766-33-9

Catalog:	BB011156
Product Name:	(±)-trans-1-Allyl-2,5-dimethylpiperazine
CAS:	155766-33-9
Synonyms:	(2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine

Technical Data

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Computed Properties

IUPAC Name:	(2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine
Description:	(±)-trans-1-Allyl-2,5-dimethylpiperazine (CAS# 155766-33-9 ) is a useful research chemical.
Molecular Weight:	154.25
Molecular Formula:	C9H18N2
Canonical SMILES:	CC1CNC(CN1CC=C)C
InChI:	InChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChI Key:	VKUXNUOPPQWDMV-DTWKUNHWSA-N
Boiling Point:	60-61 °C / 5 mmHg (lit.)
Density:	0.903 g/mL at 25 °C(lit.)
LogP:	1.12130

Publication Number	Title	Priority Date
US-2020121674-A1	An opioid for use to reduce and/or treat drug addiction	20170430
WO-2018204163-A1	An opioid for use to reduce and/or treat drug addiction	20170430
US-2020087284-A1	[4-(phenylsulfonyl)piperazin-1-yl](1h-1, 2, 3-triazol-4-yl)methanones	20161219
EP-3436013-A1	Delta opioid agonist, mu opioid antagonist compositions and methods for treating parkinson's disease	20160331
US-2019038620-A1	Delta opioid agonist mu opioid antagonist compositions and methods for treating parkinsons disease	20160331

PMID	Publication Date	Title	Journal
12737580	20030516	Enantioconvergent synthesis of (-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine, an intermediate to delta-opioid receptor ligands	The Journal of organic chemistry

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Related Functional Groups

Piperazines

[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[27469-60-9]
1-Bis(4-fluorophenyl)methyl piperazine
[400756-19-6]
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one
[355824-21-4]
1-(2,4-Dimethoxybenzyl)piperazine

GHS Hazard Statement:	H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P280, P302+P352, P312, P322, P363, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	154.146998583
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.146998583
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1