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Chemical ID: 4171345
Chemical ID:
4171345
Name [?]:
1-[(3-methoxyphenyl)methyl]-4-methyl-piperazine
SMILES [?]:
CN1CCN(CC1)Cc2cccc(c2)OC
InChi [?]:
InChI=1/C13H20N2O/c1-14-6-8-15(9-7-14)11-12-4-3-5-13(10-12)16-2/h3-5,10H,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,10,12,3,7,4,6,14,8,9,13,2,5,15/E:(6,7)(8,9)/rA:16nCNCCNCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25202 |
Area: | 407.076 |
Solvation: | -2.92487 |
Coulombic: | -17.555 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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