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Chemical ID: 5830128
Chemical ID:
5830128
Name [?]:
1-[(4-benzyloxyphenyl)methyl]-N,N-diethyl-piperidine-4-carboxamide
SMILES [?]:
CCN(CC)C(=O)C1CCN(CC1)Cc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C24H32N2O2/c1-3-26(4-2)24(27)22-14-16-25(17-15-22)18-20-10-12-23(13-11-20)28-19-21-8-6-5-7-9-21/h5-13,22H,3-4,14-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,26,25,27,24,28,16,20,17,19,9,13,10,12,14,22,15,23,8,18,6,11,3,7,21/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:28nCCNCCCOCCCNCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8515 |
Area: | 642.456 |
Solvation: | -4.20991 |
Coulombic: | -30.5895 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.523 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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