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Chemical ID: 5829681
Chemical ID:
5829681
Name [?]:
3-[(4-methyl-1-piperidyl)methyl]pyridine
SMILES [?]:
CC1CCN(CC1)Cc2cccnc2
InChi [?]:
InChI=1/C12H18N2/c1-11-4-7-14(8-5-11)10-12-3-2-6-13-9-12/h2-3,6,9,11H,4-5,7-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,3,7,12,4,6,14,8,2,9,13,5/E:(4,5)(7,8)/rA:14nCCCCNCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49917 |
Area: | 369.676 |
Solvation: | -1.74274 |
Coulombic: | -10.2065 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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