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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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Experimental Annotations
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Descriptor Annotations
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