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Chemical ID: 4445155

Chemical ID:

4445155

Name [?]:

1-(4-phenylphenoxy)-3-(1-piperidyl)propan-2-ol

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)OCC(CN3CCCCC3)O

InChi [?]:

InChI=1/C20H25NO2/c22-19(15-21-13-5-2-6-14-21)16-23-20-11-9-18(10-12-20)17-7-3-1-4-8-17/h1,3-4,7-12,19,22H,2,5-6,13-16H2

InChi Info:

AuxInfo=1/0/N:1,20,2,6,19,21,3,5,8,12,9,11,18,22,16,14,4,7,15,10,17,23,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23cCCCCCCCCCCCCOCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	8.8132
Area:	545.372
Solvation:	-4.82111
Coulombic:	-30.8352

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.92
LogP (Chemaxon):	3.81

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