Chemical ID: 3996452

c1cc(ccc1C=O)N2CCCCC2
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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Descriptor Annotations

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