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Chemical ID: 5083180
Chemical ID:
5083180
Name [?]:
1-benzyl-4-phenyl-piperidine-4-carbaldehyde
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)(C=O)c3ccccc3
InChi [?]:
InChI=1/C19H21NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,3,5,17,21,10,12,9,13,7,14,4,16,11,8,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21nCCCCCCCNCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s11;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06766 |
Area: | 476.216 |
Solvation: | -2.83774 |
Coulombic: | -15.1304 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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