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Chemical ID: 4547575
Chemical ID:
4547575
Name [?]:
N-benzyl-N-ethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
SMILES [?]:
CCN(Cc1ccccc1)C2CCN(CC2)Cc3cccc(c3)F
InChi [?]:
InChI=1/C21H27FN2/c1-2-24(17-18-7-4-3-5-8-18)21-11-13-23(14-12-21)16-19-9-6-10-20(22)15-19/h3-10,15,21H,2,11-14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,20,6,10,19,21,12,16,13,15,23,17,4,5,18,22,11,24,14,3/E:(4,5)(7,8)(11,12)(13,14)/rA:24cCCNCCCCCCCCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27FN2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7351 |
Area: | 544.442 |
Solvation: | -2.87593 |
Coulombic: | -16.5588 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.451 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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