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Chemical ID: 4235768

Chemical ID:

4235768

Name [?]:

[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-phenyl-methanone

SMILES [?]:

CN1CCN(CC1)CCCOc2ccc(cc2)C(=O)c3ccccc3

InChi [?]:

InChI=1/C21H26N2O2/c1-22-13-15-23(16-14-22)12-5-17-25-20-10-8-19(9-11-20)21(24)18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,23,22,24,9,21,25,14,16,13,17,8,3,7,4,6,10,20,15,12,18,2,5,19,11/E:(3,4)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:25nCNCCNCCCCCOCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5761
Area:	580.125
Solvation:	-3.92699
Coulombic:	-27.813

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.443
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.34
LogP (Chemaxon):	2.85

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