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Chemical ID: 7305881

Chemical ID:

7305881

Name [?]:

(3,5-dimethyl-1-piperidyl)-(2-quinolyl)methanone

SMILES [?]:

CC1CC(CN(C1)C(=O)c2ccc3ccccc3n2)C

InChi [?]:

InChI=1/C17H20N2O/c1-12-9-13(2)11-19(10-12)17(20)16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,15,16,14,17,12,11,3,7,5,2,4,13,18,10,8,19,6,9/E:(1,2)(10,11)(12,13)/rA:20cCCCCCNCCOCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀N₂O
All Atoms:	40
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	9.79367
Area:	451.313
Solvation:	-1.48917
Coulombic:	-26.5223

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	268.354
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.22
LogP (Chemaxon):	3.21

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