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Chemical ID: 4702779
Chemical ID:
4702779
Name [?]:
2-chloro-5-[(2-methyl-1-piperidyl)methyl]pyridine
SMILES [?]:
CC1CCCCN1Cc2ccc(nc2)Cl
InChi [?]:
InChI=1/C12H17ClN2/c1-10-4-2-3-7-15(10)9-11-5-6-12(13)14-8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,10,11,6,14,8,2,9,12,15,13,7/rA:15cCCCCCCNCCCCCNCCl/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClN2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.44501 |
Area: | 396.976 |
Solvation: | -1.47939 |
Coulombic: | -11.5283 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 224.73 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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