Chemical ID: 7116395

Cc1ccc(c(c1)C(c2ccccc2)N3CCNCC3)OC
Chemical ID:
7116395
Name [?]:
1-[(2-methoxy-5-methyl-phenyl)-phenyl-methyl]piperazine
SMILES [?]:
Cc1ccc(c(c1)C(c2ccccc2)N3CCNCC3)OC
InChi [?]:
InChI=1/C19H24N2O/c1-15-8-9-18(22-2)17(14-15)19(16-6-4-3-5-7-16)21-12-10-20-11-13-21/h3-9,14,19-20H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,12,11,13,10,14,3,4,17,19,16,20,7,2,9,6,5,8,18,15,21/E:(4,5)(6,7)(10,11)(12,13)/rA:22cCCCCCCCCCCCCCCNCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s8;s15;s16;s17;s18;s15s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O
All Atoms:46
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.65447
Area:489.835
Solvation:-2.5914
Coulombic:-24.0276
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.407
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.1
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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