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Chemical ID: 4743931
Chemical ID:
4743931
Name [?]:
1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine
SMILES [?]:
Cc1c(c(c(c(c1C)C)CN2CCCCC2)C)C
InChi [?]:
InChI=1/C17H27N/c1-12-13(2)15(4)17(16(5)14(12)3)11-18-9-7-6-8-10-18/h6-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,18,9,17,14,13,15,12,16,10,2,7,3,6,4,5,11/E:(2,3)(4,5)(7,8)(9,10)(13,14)(15,16)/rA:18nCCCCCCCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s11;s12;s13;s14;s11s15;s4;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61723 |
Area: | 433.208 |
Solvation: | -1.21298 |
Coulombic: | -5.78239 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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