Chemical ID: 4393231

CC1CCN(CC1)C2CCN(CC2)Cc3ccccc3F
Chemical ID:
4393231
Name [?]:
1-[1-[(2-fluorophenyl)methyl]-4-piperidyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)C2CCN(CC2)Cc3ccccc3F
InChi [?]:
InChI=1/C18H27FN2/c1-15-6-12-21(13-7-15)17-8-10-20(11-9-17)14-16-4-2-3-5-18(16)19/h2-5,15,17H,6-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,3,7,9,13,10,12,4,6,14,2,15,8,20,21,11,5/E:(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCNCCCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27FN2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.37265
Area:484.936
Solvation:-2.75076
Coulombic:-15.0875
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:3.7
LogP (Chemaxon):3.1

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Descriptor Annotations

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