Chemical ID: 5083180

c1ccc(cc1)CN2CCC(CC2)(C=O)c3ccccc3
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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Descriptor Annotations

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