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Chemical ID: 4175312

Chemical ID:

4175312

Name [?]:

1-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone

SMILES [?]:

CC(=O)c1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C20H24N2O2/c1-16(23)18-5-7-19(8-6-18)22-13-11-21(12-14-22)15-17-3-9-20(24-2)10-4-17/h3-10H,11-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,18,22,5,9,6,8,19,21,12,14,11,15,16,2,17,4,7,20,13,10,3,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCOCCCCCCNCCNCCCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.14053
Area:	546.008
Solvation:	-4.50966
Coulombic:	-26.7469

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	324.417
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.34
LogP (Chemaxon):	2.94

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