Chemical ID: 4395743

CCOc1ccccc1CN2CCC(CC2)N3CCCC3
Chemical ID:
4395743
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-pyrrolidin-1-yl-piperidine
SMILES [?]:
CCOc1ccccc1CN2CCC(CC2)N3CCCC3
InChi [?]:
InChI=1/C18H28N2O/c1-2-21-18-8-4-3-7-16(18)15-19-13-9-17(10-14-19)20-11-5-6-12-20/h3-4,7-8,17H,2,5-6,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,19,20,8,5,13,15,18,21,12,16,10,9,14,4,11,17,3/E:(5,6)(9,10)(11,12)(13,14)/rA:21nCCOCCCCCCCNCCCCCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.20774
Area:499.906
Solvation:-3.28991
Coulombic:-17.5588
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.428
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.01
LogP (Chemaxon):2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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