Chemical ID: 4349601

Cc1cccc(c1)OCCCCN2CCC(CC2)C
Chemical ID:
4349601
Name [?]:
4-methyl-1-[4-(3-methylphenoxy)butyl]piperidine
SMILES [?]:
Cc1cccc(c1)OCCCCN2CCC(CC2)C
InChi [?]:
InChI=1/C17H27NO/c1-15-8-11-18(12-9-15)10-3-4-13-19-17-7-5-6-16(2)14-17/h5-7,14-15H,3-4,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:19,1,11,10,4,3,5,15,17,12,14,18,9,7,16,2,6,13,8/E:(8,9)(11,12)/rA:19nCCCCCCCOCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0992
Area:495.313
Solvation:-2.28365
Coulombic:-14.4142
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.31
LogP (Chemaxon):3.8

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Descriptor Annotations

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