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Chemical ID: 5507124

Chemical ID:

5507124

Name [?]:

1-benzyl-N-(4-fluorophenyl)-piperidin-4-amine

SMILES [?]:

c1ccc(cc1)CN2CCC(CC2)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C18H21FN2/c19-16-6-8-17(9-7-16)20-18-10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9,18,20H,10-14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,17,19,16,20,10,12,9,13,7,4,18,15,11,21,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCCCCNCCCCCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁FN₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.48411
Area:	484.805
Solvation:	-2.636
Coulombic:	-22.4047

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	284.371
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.93
LogP (Chemaxon):	3.51

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