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Chemical ID: 6376342

Chemical ID:

6376342

Name [?]:

1-(4-methyl-1-piperidyl)-2-(4-nitrophenyl)-ethanone

SMILES [?]:

CC1CCN(CC1)C(=O)Cc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H18N2O3/c1-11-6-8-15(9-7-11)14(17)10-12-2-4-13(5-3-12)16(18)19/h2-5,11H,6-10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,12,16,13,15,3,7,4,6,10,2,11,14,8,5,17,9,18,19/E:(2,3)(4,5)(6,7)(8,9)(18,19)/CRV:16.5/rA:19nCCCCNCCCOCCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₈N₂O₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	4.06273
Area:	459.083
Solvation:	-7.41434
Coulombic:	-28.3376

Bond Count [?]

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

Chemical Properties

Molecular Weight:	262.304
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.52
LogP (Chemaxon):	2.31

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