Chemical ID: 5104019

c1cc(cc(c1)C(F)(F)F)C(CN2CCNCC2)O
Chemical ID:
5104019
Name [?]:
2-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]-ethanol
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(CN2CCNCC2)O
InChi [?]:
InChI=1/C13H17F3N2O/c14-13(15,16)11-3-1-2-10(8-11)12(19)9-18-6-4-17-5-7-18/h1-3,8,12,17,19H,4-7,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,17,14,18,4,12,3,5,11,7,8,9,10,16,13,19/E:(4,5)(6,7)(14,15,16)/rA:19cCCCCCCCFFFCCNCCNCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;s12;s13;s14;s15;s16;s13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17F3N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.23643
Area:436.523
Solvation:-3.67663
Coulombic:-49.4942
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.282
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):1.88

Name Annotations

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Descriptor Annotations

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