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Chemical ID: 4334780
Chemical ID:
4334780
Name [?]:
1-isopropyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILES [?]:
CC(C)N1CCN(CC1)Cc2cccc(c2)OC
InChi [?]:
InChI=1/C15H24N2O/c1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3/h4-6,11,13H,7-10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,13,12,14,6,8,5,9,16,10,2,11,15,7,4,17/E:(1,2)(7,8)(9,10)/rA:18nCCCNCCNCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35687 |
Area: | 449.891 |
Solvation: | -2.89041 |
Coulombic: | -17.8571 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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