1-(4-Ethynylbenzyl)-4-methylpiperazine - CAS 933986-40-4
Catalog: |
BB040902 |
Product Name: |
1-(4-Ethynylbenzyl)-4-methylpiperazine |
CAS: |
933986-40-4 |
Synonyms: |
1-[(4-ethynylphenyl)methyl]-4-methylpiperazine; 1-[(4-ethynylphenyl)methyl]-4-methylpiperazine |
IUPAC Name: | 1-[(4-ethynylphenyl)methyl]-4-methylpiperazine |
Description: | 1-(4-Ethynylbenzyl)-4-methylpiperazine (CAS# 933986-40-4 ) is a useful research chemical. |
Molecular Weight: | 214.31 |
Molecular Formula: | C14H18N2 |
Canonical SMILES: | CN1CCN(CC1)CC2=CC=C(C=C2)C#C |
InChI: | InChI=1S/C14H18N2/c1-3-13-4-6-14(7-5-13)12-16-10-8-15(2)9-11-16/h1,4-7H,8-12H2,2H3 |
InChI Key: | XIMCFAYSUUEMGV-UHFFFAOYSA-N |
LogP: | 1.29110 |
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Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.146998583 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 6.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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