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Chemical ID: 3996452
Chemical ID:
3996452
Name [?]:
4-(1-piperidyl)benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)N2CCCCC2
InChi [?]:
InChI=1/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChi Info:
AuxInfo=1/0/N:12,11,13,1,5,2,4,10,14,7,6,3,9,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.47512 |
Area: | 363.205 |
Solvation: | -2.605 |
Coulombic: | -13.9526 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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