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Chemical ID: 4390957

Chemical ID:

4390957

Name [?]:

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

SMILES [?]:

CN(Cc1ccccc1)C2CCN(CC2)Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C21H28N2O/c1-22(16-18-6-4-3-5-7-18)20-12-14-23(15-13-20)17-19-8-10-21(24-2)11-9-19/h3-11,20H,12-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,7,6,8,5,9,18,22,19,21,11,15,12,14,3,16,4,17,10,20,2,13,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:24cCNCCCCCCCCCCNCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₈N₂O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3316
Area:	554.983
Solvation:	-3.54303
Coulombic:	-19.3684

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	324.46
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.79
LogP (Chemaxon):	3.43

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