Chemical ID: 7177820

COc1ccc(cc1OC)CCC2CCCCN2
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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Descriptor Annotations

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