Chemical ID: 6333160

CCOc1ccccc1CN2CCC(CC2)N3CCCCCC3
Chemical ID:
6333160
Name [?]:
1-[1-[(2-ethoxyphenyl)methyl]-4-piperidyl]azepane
SMILES [?]:
CCOc1ccccc1CN2CCC(CC2)N3CCCCCC3
InChi [?]:
InChI=1/C20H32N2O/c1-2-23-20-10-6-5-9-18(20)17-21-15-11-19(12-16-21)22-13-7-3-4-8-14-22/h5-6,9-10,19H,2-4,7-8,11-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,7,6,19,22,8,5,13,15,18,23,12,16,10,9,14,4,11,17,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)/rA:23nCCOCCCCCCCNCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H32N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2032
Area:530.527
Solvation:-3.06
Coulombic:-18.4018
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.481
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.73
LogP (Chemaxon):3.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue