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Chemical ID: 4286116

Chemical ID:

4286116

Name [?]:

1-(3,5-dimethylphenoxy)-3-(4-methyl-1-piperidyl)-propan-2-ol

SMILES [?]:

Cc1cc(cc(c1)OCC(CN2CCC(CC2)C)O)C

InChi [?]:

InChI=1/C17H27NO2/c1-13-4-6-18(7-5-13)11-16(19)12-20-17-9-14(2)8-15(3)10-17/h8-10,13,16,19H,4-7,11-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:18,1,20,14,16,13,17,3,7,5,11,9,15,2,4,10,6,12,19,8/E:(2,3)(4,5)(6,7)(9,10)(14,15)/rA:20cCCCCCCCOCCCNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s15;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇NO₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.19722
Area:	505.093
Solvation:	-4.43011
Coulombic:	-29.3678

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	277.402
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.36
LogP (Chemaxon):	3.39

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value