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Chemical ID: 4177763
Chemical ID:
4177763
Name [?]:
N-[(3-fluorophenyl)methyl]-1-methyl-piperidin-4-amine
SMILES [?]:
CN1CCC(CC1)NCc2cccc(c2)F
InChi [?]:
InChI=1/C13H19FN2/c1-16-7-5-13(6-8-16)15-10-11-3-2-4-12(14)9-11/h2-4,9,13,15H,5-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,4,6,3,7,15,9,10,14,5,16,8,2/E:(5,6)(7,8)/rA:16nCNCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19FN2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77002 |
Area: | 408.971 |
Solvation: | -2.45426 |
Coulombic: | -18.2227 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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