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Chemical ID: 6637505

c1cc(ccc1C(=O)CCCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

Chemical ID:

6637505

Name [?]:

5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-pentan-1-one

SMILES [?]:

c1cc(ccc1C(=O)CCCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

InChi [?]:

InChI=1/C22H25ClFNO2/c23-19-8-6-18(7-9-19)22(27)12-15-25(16-13-22)14-2-1-3-21(26)17-4-10-20(24)11-5-17/h4-11,27H,1-3,12-16H2

InChi Info:

AuxInfo=1/0/N:10,11,9,1,5,20,24,21,23,2,4,15,17,12,14,18,6,19,22,3,7,16,25,27,13,8,26/E:(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:27nCCCCCCCOCCCCNCCCCCCCCCCCClOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s22;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅ClFNO₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3468
Area:	627.423
Solvation:	-4.33873
Coulombic:	-35.7496

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	389.891
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.34
LogP (Chemaxon):	3.77

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