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Chemical ID: 4968245

Chemical ID:

4968245

Name [?]:

(4-ethoxyphenyl)-[2-[2-(1-piperidyl)ethyl]-1-piperidyl]-methanone

SMILES [?]:

CCOc1ccc(cc1)C(=O)N2CCCCC2CCN3CCCCC3

InChi [?]:

InChI=1/C21H32N2O2/c1-2-25-20-11-9-18(10-12-20)21(24)23-16-7-4-8-19(23)13-17-22-14-5-3-6-15-22/h9-12,19H,2-8,13-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,23,15,22,24,14,16,6,8,5,9,18,21,25,13,19,7,17,4,10,20,12,11,3/E:(5,6)(9,10)(11,12)(14,15)/rA:25cCCOCCCCCCCONCCCCCCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s12s16;s17;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₂N₂O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8896
Area:	568.805
Solvation:	-3.33056
Coulombic:	-30.4939

Bond Count [?]

All:	27
Single:	23
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	344.491
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	2.83

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