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Chemical ID: 7177820
Chemical ID:
7177820
Name [?]:
2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
SMILES [?]:
COc1ccc(cc1OC)CCC2CCCCN2
InChi [?]:
InChI=1/C15H23NO2/c1-17-14-9-7-12(11-15(14)18-2)6-8-13-5-3-4-10-16-13/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,16,14,11,5,12,4,17,7,6,13,3,8,18,2,9/rA:18cCOCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.94446 |
Area: | 456.063 |
Solvation: | -4.45711 |
Coulombic: | -23.6917 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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