Chemical ID: 4170819

CCOc1ccccc1CN2CCCCC2C(=O)OCC
Chemical ID:
4170819
Name [?]:
ethyl 1-[(2-ethoxyphenyl)methyl]piperidine-2-carboxylate
SMILES [?]:
CCOc1ccccc1CN2CCCCC2C(=O)OCC
InChi [?]:
InChI=1/C17H25NO3/c1-3-20-16-11-6-5-9-14(16)13-18-12-8-7-10-15(18)17(19)21-4-2/h5-6,9,11,15H,3-4,7-8,10,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,20,7,6,14,13,8,15,5,12,10,9,16,4,17,11,18,3,19/rA:21cCCOCCCCCCCNCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s16;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.5424
Area:494.635
Solvation:-2.82347
Coulombic:-33.841
Bond Count [?]
All:22
Single:18
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.385
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.2
LogP (Chemaxon):2.86

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Descriptor Annotations

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