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Chemical ID: 7118997

Chemical ID:

7118997

Name [?]:

2-chloro-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]-ethanone

SMILES [?]:

Cc1cc(c(c(c1)C)N2CCN(CC2)C(=O)CCl)C

InChi [?]:

InChI=1/C15H21ClN2O/c1-11-8-12(2)15(13(3)9-11)18-6-4-17(5-7-18)14(19)10-16/h8-9H,4-7,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,19,11,13,10,14,7,3,17,2,6,4,15,5,18,12,9,16/E:(2,3)(4,5)(6,7)(8,9)(12,13)/rA:19nCCCCCCCCNCCNCCCOCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁ClN₂O
All Atoms:	40
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73685
Area:	465.852
Solvation:	-2.90944
Coulombic:	-22.2007

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	280.793
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.79
LogP (Chemaxon):	3.41

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