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Chemical ID: 4335852

Chemical ID:

4335852

Name [?]:

1-(1-cyclohex-3-enylmethyl)-4-[(3-fluorophenyl)methyl]piperazine

SMILES [?]:

c1cc(cc(c1)F)CN2CCN(CC2)CC3CCC=CC3

InChi [?]:

InChI=1/C18H25FN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2

InChi Info:

AuxInfo=1/0/N:19,20,18,1,21,17,2,6,11,13,10,14,4,15,8,16,3,5,7,12,9/E:(9,10)(11,12)/rA:21cCCCCCCFCNCCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;d19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₅FN₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.92843
Area:	492.29
Solvation:	-2.37882
Coulombic:	-16.2641

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	288.403
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.51
LogP (Chemaxon):	3.51

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

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Chemical Mix	Source	External ID	Descriptor	Value