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Chemical ID: 7509017
Chemical ID:
7509017
Name [?]:
1-ethyl-N-[(3-fluorophenyl)methyl]piperidin-4-amine
SMILES [?]:
CCN1CCC(CC1)NCc2cccc(c2)F
InChi [?]:
InChI=1/C14H21FN2/c1-2-17-8-6-14(7-9-17)16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,5,7,4,8,16,10,11,15,6,17,9,3/E:(6,7)(8,9)/rA:17nCCNCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21FN2 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.36602 |
Area: | 431.831 |
Solvation: | -2.42974 |
Coulombic: | -18.4025 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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