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Chemical ID: 4977843
Chemical ID:
4977843
Name [?]:
1-(1-benzyl-4-piperidyl)pyrrole-2-carbaldehyde
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)n3cccc3C=O
InChi [?]:
InChI=1/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,3,5,17,10,12,15,9,13,7,19,4,11,18,8,14,20/E:(2,3)(5,6)(8,9)(11,12)/rA:20nCCCCCCCNCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;s14d17;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91907 |
Area: | 474.283 |
Solvation: | -2.93799 |
Coulombic: | -19.8622 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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