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Chemical ID: 5516478

c1cc(c(cc1Cl)Cl)OCC(CNCC2(CCCCC2)N3CCCCC3)O

Chemical ID:

5516478

Name [?]:

1-(2,4-dichlorophenoxy)-3-[[1-(1-piperidyl)cyclohexyl]methylamino]propan-2-ol

SMILES [?]:

c1cc(c(cc1Cl)Cl)OCC(CNCC2(CCCCC2)N3CCCCC3)O

InChi [?]:

InChI=1/C21H32Cl2N2O2/c22-17-7-8-20(19(23)13-17)27-15-18(26)14-24-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h7-8,13,18,24,26H,1-6,9-12,14-16H2

InChi Info:

AuxInfo=1/0/N:18,24,17,19,23,25,1,2,16,20,22,26,5,12,10,14,6,11,4,3,15,7,8,13,21,27,9/E:(3,4)(5,6)(9,10)(11,12)/rA:27cCCCCCCClClOCCCNCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s15;s21;s22;s23;s24;s21s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₂Cl₂N₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5867
Area:	646.786
Solvation:	-5.58296
Coulombic:	-38.0212

Bond Count [?]

All:	29
Single:	26
Double:	3
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	415.396
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.66
LogP (Chemaxon):	4.1

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