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Chemical ID: 6331820

Chemical ID:

6331820

Name [?]:

N-benzyl-N-ethyl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine

SMILES [?]:

CCN(Cc1ccccc1)C2CCN(CC2)Cc3ccccc3OC

InChi [?]:

InChI=1/C22H30N2O/c1-3-24(17-19-9-5-4-6-10-19)21-13-15-23(16-14-21)18-20-11-7-8-12-22(20)25-2/h4-12,21H,3,13-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,8,7,9,20,21,6,10,19,22,12,16,13,15,4,17,5,18,11,23,14,3,24/E:(5,6)(9,10)(13,14)(15,16)/rA:25cCCNCCCCCCCCCCNCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₀N₂O
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5731
Area:	569.389
Solvation:	-3.66162
Coulombic:	-19.4926

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	338.486
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.22
LogP (Chemaxon):	3.78

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