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Chemical ID: 7392473

Chemical ID:

7392473

Name [?]:

(2-bromophenyl)-[2-(1-methyl-3-pyridyl)-1-piperidyl]-methanone

SMILES [?]:

C[n+]1cccc(c1)C2CCCCN2C(=O)c3ccccc3Br

InChi [?]:

InChI=1/C18H20BrN2O/c1-20-11-6-7-14(13-20)17-10-4-5-12-21(17)18(22)15-8-2-3-9-16(15)19/h2-3,6-9,11,13,17H,4-5,10,12H2,1H3/q+1

InChi Info:

AuxInfo=1/0/N:1,18,19,10,11,4,5,17,20,9,3,12,7,6,16,21,8,14,22,2,13,15/CRV:20+1/rA:22cCN+CCCCCCCCCCNCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀BrN₂O+
All Atoms:	42
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	-15.6111
Area:	470.64
Solvation:	-27.3771
Coulombic:	-0.077873

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	360.268
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.76
LogP (Chemaxon):	-0.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value