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Chemical ID: 4915819
Chemical ID:
4915819
Name [?]:
3-[(2,6-dimethyl-1-piperidyl)methyl]pyridine
SMILES [?]:
CC1CCCC(N1Cc2cccnc2)C
InChi [?]:
InChI=1/C13H20N2/c1-11-5-3-6-12(2)15(11)10-13-7-4-8-14-9-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,4,11,3,5,10,12,14,8,2,6,9,13,7/E:(1,2)(5,6)(11,12)/rA:15cCCCCCCNCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;d12;d9s13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.63523 |
Area: | 368.097 |
Solvation: | -1.5672 |
Coulombic: | -10.3649 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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