Chemical ID: 4702779

CC1CCCCN1Cc2ccc(nc2)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue