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Chemical ID: 6665568

Chemical ID:

6665568

Name [?]:

1,4-diphenylpiperazine

SMILES [?]:

c1ccc(cc1)N2CCN(CC2)c3ccccc3

InChi [?]:

InChI=1/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2

InChi Info:

AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,8,12,9,11,4,13,7,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)/rA:18nCCCCCCNCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈N₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.57564
Area:	423.353
Solvation:	-2.00818
Coulombic:	-15.1679

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	238.328
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.04
LogP (Chemaxon):	4.27

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