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Chemical ID: 4349701
Chemical ID:
4349701
Name [?]:
1-[4-(4-chlorophenoxy)butyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)CCCCOc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H24ClNO/c1-14-8-11-18(12-9-14)10-2-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,15,17,14,18,3,7,8,4,6,11,2,16,13,19,5,12/E:(4,5)(6,7)(8,9)(11,12)/rA:19nCCCCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4807 |
Area: | 509.991 |
Solvation: | -2.26909 |
Coulombic: | -14.5359 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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