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Chemical ID: 6331822

Chemical ID:

6331822

Name [?]:

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

SMILES [?]:

CCN(Cc1ccccc1)C2CCN(CC2)Cc3ccccc3OCC

InChi [?]:

InChI=1/C23H32N2O/c1-3-25(18-20-10-6-5-7-11-20)22-14-16-24(17-15-22)19-21-12-8-9-13-23(21)26-4-2/h5-13,22H,3-4,14-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,2,25,8,7,9,20,21,6,10,19,22,12,16,13,15,4,17,5,18,11,23,14,3,24/E:(6,7)(10,11)(14,15)(16,17)/rA:26cCCNCCCCCCCCCCNCCCCCCCCCOCC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₂N₂O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	11.3638
Area:	596.676
Solvation:	-3.55307
Coulombic:	-19.7535

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	352.513
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.64
LogP (Chemaxon):	4.12

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