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Chemical ID: 4178164

Chemical ID:

4178164

Name [?]:

1-benzyl-4-(3-phenylpropyl)piperazine

SMILES [?]:

c1ccc(cc1)CCCN2CCN(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2

InChi Info:

AuxInfo=1/0/N:1,20,2,6,19,21,8,3,5,18,22,7,9,11,15,12,14,16,4,17,10,13/E:(3,4)(5,6)(8,9)(10,11)(14,15)(16,17)/rA:22nCCCCCCCCCNCCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₆N₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3818
Area:	534.114
Solvation:	-1.97101
Coulombic:	-13.4656

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	294.434
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.64
LogP (Chemaxon):	4.16

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