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Chemical ID: 4122176
Chemical ID:
4122176
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-piperidin-4-amine
SMILES [?]:
CN1CCC(CC1)NCCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C16H26N2O2/c1-18-10-7-14(8-11-18)17-9-6-13-4-5-15(19-2)16(12-13)20-3/h4-5,12,14,17H,6-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,12,13,10,4,6,9,3,7,16,11,5,14,15,8,2,19,17/E:(7,8)(10,11)/rA:20nCNCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44071 |
Area: | 500.932 |
Solvation: | -5.08259 |
Coulombic: | -27.8598 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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