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Chemical ID: 5553916

Chemical ID:

5553916

Name [?]:

1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)-piperazine

SMILES [?]:

CC1CCC(CC1)N2CCN(CC2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C18H27FN2/c1-15-2-8-18(9-3-15)21-12-10-20(11-13-21)14-16-4-6-17(19)7-5-16/h4-7,15,18H,2-3,8-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,16,20,17,19,4,6,10,12,9,13,14,2,15,18,5,21,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCCCCNCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₇FN₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.83508
Area:	486.034
Solvation:	-2.31578
Coulombic:	-15.6475

Bond Count [?]

All:	23
Single:	20
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	290.419
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.91
LogP (Chemaxon):	3.79

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value