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Chemical ID: 4171382

Chemical ID:

4171382

Name [?]:

N,N-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]aniline

SMILES [?]:

CN(C)c1ccc(cc1)CN2CCN(CC2)c3ccccc3

InChi [?]:

InChI=1/C19H25N3/c1-20(2)18-10-8-17(9-11-18)16-21-12-14-22(15-13-21)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,20,19,21,18,22,6,8,5,9,12,16,13,15,10,7,4,17,2,11,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:22nCNCCCCCCCCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅N₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2659
Area:	512.819
Solvation:	-2.55454
Coulombic:	-19.3677

Bond Count [?]

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

Chemical Properties

Molecular Weight:	295.422
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.79
LogP (Chemaxon):	4.15

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