Chemical ID: 7285218

C=CCOc1ccccc1CNC2CCN(CC2)Cc3ccccc3
Chemical ID:
7285218
Name [?]:
N-[(2-allyloxyphenyl)methyl]-1-benzyl-piperidin-4-amine
SMILES [?]:
C=CCOc1ccccc1CNC2CCN(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C22H28N2O/c1-2-16-25-22-11-7-6-10-20(22)17-23-21-12-14-24(15-13-21)18-19-8-4-3-5-9-19/h2-11,21,23H,1,12-18H2
InChi Info:
AuxInfo=1/0/N:1,2,23,22,24,8,7,21,25,9,6,14,18,15,17,3,11,19,20,10,13,5,12,16,4/E:(4,5)(8,9)(12,13)(14,15)/rA:25nCCCOCCCCCCCNCCCNCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O
All Atoms:53
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5133
Area:588.324
Solvation:-3.19483
Coulombic:-25.5041
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.471
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):3.81

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