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Chemical ID: 4393231
Chemical ID:
4393231
Name [?]:
1-[1-[(2-fluorophenyl)methyl]-4-piperidyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)C2CCN(CC2)Cc3ccccc3F
InChi [?]:
InChI=1/C18H27FN2/c1-15-6-12-21(13-7-15)17-8-10-20(11-9-17)14-16-4-2-3-5-18(16)19/h2-5,15,17H,6-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,3,7,9,13,10,12,4,6,14,2,15,8,20,21,11,5/E:(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCNCCCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27FN2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37265 |
Area: | 484.936 |
Solvation: | -2.75076 |
Coulombic: | -15.0875 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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