Chemical ID: 5792482

c1cc(ccc1C=O)OCC(=O)N2CCCCC2
Chemical ID:
5792482
Name [?]:
4-(1-piperidylcarbonylmethoxy)benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H17NO3/c16-10-12-4-6-13(7-5-12)18-11-14(17)15-8-2-1-3-9-15/h4-7,10H,1-3,8-9,11H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,5,2,4,14,18,7,10,6,3,11,13,8,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCOOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.8232
Area:446.349
Solvation:-5.33553
Coulombic:-30.2785
Bond Count [?]
All:19
Single:14
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.29
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.81
LogP (Chemaxon):1.36

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Descriptor Annotations

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