Chemical ID: 6331824

CCN(Cc1ccccc1)C2CCN(CC2)Cc3ccc4c(c3)OCO4
Chemical ID:
6331824
Name [?]:
1-(benzo[1,3]dioxol-5-ylmethyl)-N-benzyl-N-ethyl-piperidin-4-amine
SMILES [?]:
CCN(Cc1ccccc1)C2CCN(CC2)Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C22H28N2O2/c1-2-24(16-18-6-4-3-5-7-18)20-10-12-23(13-11-20)15-19-8-9-21-22(14-19)26-17-25-21/h3-9,14,20H,2,10-13,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,19,20,12,16,13,15,23,17,4,25,5,18,11,21,22,14,3,26,24/E:(4,5)(6,7)(10,11)(12,13)/rA:26cCCNCCCCCCCCCCNCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7754
Area:576.698
Solvation:-3.64206
Coulombic:-28.3478
Bond Count [?]
All:29
Single:23
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.47
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):3.71

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Descriptor Annotations

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