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Chemical ID: 3966866

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

Chemical ID:

3966866

Name [?]:

4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one

SMILES [?]:

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

InChi [?]:

InChI=1/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

InChi Info:

AuxInfo=1/0/N:10,9,1,5,19,23,20,22,2,4,14,16,11,13,17,6,18,21,3,7,15,24,26,12,8,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:26nCCCCCCCOCCCNCCCCCCCCCCCClOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;s21;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃ClFNO₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5687
Area:	600.654
Solvation:	-4.44759
Coulombic:	-35.3173

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	375.864
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.98
LogP (Chemaxon):	3.38

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