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Chemical ID: 4645565

Chemical ID:

4645565

Name [?]:

1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethyl-1-piperidyl)-ethanone

SMILES [?]:

CCC1CCCCN1CC(=O)c2c([nH]c3c2ccc(c3)C)C

InChi [?]:

InChI=1/C19H26N2O/c1-4-15-7-5-6-10-21(15)12-18(22)19-14(3)20-17-11-13(2)8-9-16(17)19/h8-9,11,15,20H,4-7,10,12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,22,2,5,6,4,18,17,7,20,9,19,13,3,16,15,10,12,14,8,11/rA:22cCCCCCCCNCCOCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;d10;s10;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₆N₂O
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	10.0494
Area:	508.282
Solvation:	-2.65768
Coulombic:	-24.4992

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	298.423
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.81
LogP (Chemaxon):	3.71

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