ChemicalDetail: Details for an Individual Chemical

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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value