Chemical ID: 4390841

CCOc1ccccc1CN2CCC(CC2)N3CCC(CC3)C
Chemical ID:
4390841
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-(4-methyl-1-piperidyl)-piperidine
SMILES [?]:
CCOc1ccccc1CN2CCC(CC2)N3CCC(CC3)C
InChi [?]:
InChI=1/C20H32N2O/c1-3-23-20-7-5-4-6-18(20)16-21-12-10-19(11-13-21)22-14-8-17(2)9-15-22/h4-7,17,19H,3,8-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,7,6,8,5,19,21,13,15,12,16,18,22,10,20,9,14,4,11,17,3/E:(8,9)(10,11)(12,13)(14,15)/rA:23nCCOCCCCCCCNCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H32N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2188
Area:539.866
Solvation:-3.27789
Coulombic:-18.1185
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:3.88
LogP (Chemaxon):3.05

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Descriptor Annotations

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