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155836-79-6 | Piperazine, 2,5-dimethyl-1-(2-propen-1-yl)-, (2S,5R)-
CAS No: 155836-79-6 Catalog No: AG001O9E MDL No:
Product Description
Catalog Number:
AG001O9E
Chemical Name:
Piperazine, 2,5-dimethyl-1-(2-propen-1-yl)-, (2S,5R)-
CAS Number:
155836-79-6
Molecular Formula:
C9H18N2
Molecular Weight:
154.2526
IUPAC Name:
(2S,5R)-2,5-dimethyl-1-prop-2-enylpiperazine
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+/m1/s1
InChI Key:
VKUXNUOPPQWDMV-BDAKNGLRSA-N
SMILES:
C[C@H]1CN[C@@H](CN1CC=C)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.147g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.257g/mol
Monoisotopic Mass:
154.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Enantioconvergent synthesis of (-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine, an intermediate to delta-opioid receptor ligands. | The Journal of organic chemistry 20030516 |
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