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Chemical ID: 5829709
Chemical ID:
5829709
Name [?]:
1-[(2-chlorophenyl)methyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)Cc2ccccc2Cl
InChi [?]:
InChI=1/C13H18ClN/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,3,7,4,6,8,2,9,14,15,5/E:(6,7)(8,9)/rA:15nCCCCNCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClN |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82371 |
Area: | 396.572 |
Solvation: | -1.0906 |
Coulombic: | -7.59839 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.741 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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