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Chemical ID: 7025183

Chemical ID:

7025183

Name [?]:

(4-allyloxyphenyl)-(3-methyl-1-piperidyl)-methanone

SMILES [?]:

CC1CCCN(C1)C(=O)c2ccc(cc2)OCC=C

InChi [?]:

InChI=1/C16H21NO2/c1-3-11-19-15-8-6-14(7-9-15)16(18)17-10-4-5-13(2)12-17/h3,6-9,13H,1,4-5,10-12H2,2H3

InChi Info:

AuxInfo=1/0/N:19,1,18,4,3,11,15,12,14,5,17,7,2,10,13,8,6,9,16/E:(6,7)(8,9)/rA:19cCCCCCNCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁NO₂
All Atoms:	40
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.92626
Area:	468.361
Solvation:	-2.78276
Coulombic:	-27.5176

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	259.343
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.26
LogP (Chemaxon):	2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value