Chemical ID: 4171678

COc1ccccc1CN2CCN(CC2)Cc3ccccc3
Chemical ID:
4171678
Name [?]:
1-benzyl-4-[(2-methoxyphenyl)methyl]piperazine
SMILES [?]:
COc1ccccc1CN2CCN(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C19H24N2O/c1-22-19-10-6-5-9-18(19)16-21-13-11-20(12-14-21)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,6,5,18,22,7,4,12,14,11,15,16,9,17,8,3,13,10,2/E:(3,4)(7,8)(11,12)(13,14)/rA:22nCOCCCCCCCNCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.24033
Area:510.422
Solvation:-3.52022
Coulombic:-19.1472
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.407
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):3.26

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Descriptor Annotations

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