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Chemical ID: 4178820
Chemical ID:
4178820
Name [?]:
1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILES [?]:
CCN1CCC(CC1)NCCc2ccc(cc2)F
InChi [?]:
InChI=1/C15H23FN2/c1-2-18-11-8-15(9-12-18)17-10-7-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,14,16,11,5,7,10,4,8,12,15,6,18,9,3/E:(3,4)(5,6)(8,9)(11,12)/rA:18nCCNCCCCCNCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23FN2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10959 |
Area: | 459.789 |
Solvation: | -2.38513 |
Coulombic: | -18.6458 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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