Chemical ID: 4731801

c1ccc(cc1)CN2CCC(CC2)Nc3ccccc3N
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

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Descriptor Annotations

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