Chemical ID: 4177779

COc1ccccc1CN2CCC(CC2)N3CCCCC3
Chemical ID:
4177779
Name [?]:
1-[(2-methoxyphenyl)methyl]-4-(1-piperidyl)piperidine
SMILES [?]:
COc1ccccc1CN2CCC(CC2)N3CCCCC3
InChi [?]:
InChI=1/C18H28N2O/c1-21-18-8-4-3-7-16(18)15-19-13-9-17(10-14-19)20-11-5-2-6-12-20/h3-4,7-8,17H,2,5-6,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,6,5,18,20,7,4,12,14,17,21,11,15,9,8,13,3,10,16,2/E:(5,6)(9,10)(11,12)(13,14)/rA:21nCOCCCCCCCNCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.89642
Area:489.984
Solvation:-3.35319
Coulombic:-17.5777
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.428
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.95
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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