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Chemical ID: 6382169

Chemical ID:

6382169

Name [?]:

(2,6-dimethyl-1-piperidyl)-(2-nitrophenyl)-methanone

SMILES [?]:

CC1CCCC(N1C(=O)c2ccccc2[N+](=O)[O-])C

InChi [?]:

InChI=1/C14H18N2O3/c1-10-6-5-7-11(2)15(10)14(17)12-8-3-4-9-13(12)16(18)19/h3-4,8-11H,5-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,12,13,4,3,5,11,14,2,6,10,15,8,7,16,9,17,18/E:(1,2)(6,7)(10,11)(18,19)/CRV:16.5/rA:19cCCCCCCNCOCCCCCCN+OO-C/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₈N₂O₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	2

ZAP Information [?]

Total:	2.20331
Area:	409.548
Solvation:	-8.03538
Coulombic:	-27.3632

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	262.304
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.12
LogP (Chemaxon):	2.69

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