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Chemical ID: 7285218
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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