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Chemical ID: 4171232
Chemical ID:
4171232
Name [?]:
N,1-dimethyl-N-(p-tolylmethyl)piperidin-4-amine
SMILES [?]:
Cc1ccc(cc1)CN(C)C2CCN(CC2)C
InChi [?]:
InChI=1/C15H24N2/c1-13-4-6-14(7-5-13)12-17(3)15-8-10-16(2)11-9-15/h4-7,15H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,10,3,7,4,6,12,16,13,15,8,2,5,11,14,9/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCNCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;s11;s12;s13;s14;s11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.97945 |
Area: | 431.842 |
Solvation: | -1.81659 |
Coulombic: | -11.0504 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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