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Chemical ID: 7532389

Chemical ID:

7532389

Name [?]:

4-benzyl-1-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperidine

SMILES [?]:

Cc1ccccc1OCCOCCN2CCC(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C23H31NO2/c1-20-7-5-6-10-23(20)26-18-17-25-16-15-24-13-11-22(12-14-24)19-21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,4,5,3,22,26,6,16,18,15,19,13,12,10,9,20,2,21,17,7,14,11,8/E:(3,4)(8,9)(11,12)(13,14)/rA:26nCCCCCCCOCCOCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₁NO₂
All Atoms:	57
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1588
Area:	617.935
Solvation:	-5.28956
Coulombic:	-22.1262

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.64
LogP (Chemaxon):	None

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