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Chemical ID: 4731801
Chemical ID:
4731801
Name [?]:
N-(1-benzyl-4-piperidyl)benzene-1,2-diamine
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)Nc3ccccc3N
InChi [?]:
InChI=1/C18H23N3/c19-17-8-4-5-9-18(17)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14,19H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,17,3,5,19,16,10,12,9,13,7,4,11,20,15,21,14,8/E:(2,3)(6,7)(10,11)(12,13)/rA:21nCCCCCCCNCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2198 |
Area: | 494.257 |
Solvation: | -2.13659 |
Coulombic: | -35.4837 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.395 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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