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Chemical ID: 4122349
Chemical ID:
4122349
Name [?]:
4-[(4-methyl-1-piperidyl)methyl]aniline
SMILES [?]:
CC1CCN(CC1)Cc2ccc(cc2)N
InChi [?]:
InChI=1/C13H20N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,11,13,3,7,4,6,8,2,9,12,15,5/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCNCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38619 |
Area: | 391.388 |
Solvation: | -1.3985 |
Coulombic: | -22.7781 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.311 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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