Chemical ID: 4173889

Cc1cccc(c1)OCCCCCN2CCCCC2
Chemical ID:
4173889
Name [?]:
1-[5-(3-methylphenoxy)pentyl]piperidine
SMILES [?]:
Cc1cccc(c1)OCCCCCN2CCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-16-9-8-10-17(15-16)19-14-7-3-6-13-18-11-4-2-5-12-18/h8-10,15H,2-7,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,11,16,18,12,10,4,3,5,15,19,13,9,7,2,6,14,8/E:(4,5)(11,12)/rA:19nCCCCCCCOCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1423
Area:500.011
Solvation:-2.35796
Coulombic:-14.3569
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.16
LogP (Chemaxon):3.86

Name Annotations

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Descriptor Annotations

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