Chemical ID: 4291099

Cc1cc(cc(c1)OCCCCCN2CCCCC2)C
Chemical ID:
4291099
Name [?]:
1-[5-(3,5-dimethylphenoxy)pentyl]piperidine
SMILES [?]:
Cc1cc(cc(c1)OCCCCCN2CCCCC2)C
InChi [?]:
InChI=1/C18H29NO/c1-16-13-17(2)15-18(14-16)20-12-8-4-7-11-19-9-5-3-6-10-19/h13-15H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,17,11,16,18,12,10,15,19,13,9,3,7,5,2,4,6,14,8/E:(1,2)(5,6)(9,10)(14,15)(16,17)/rA:20nCCCCCCCOCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.7466
Area:523.422
Solvation:-2.33894
Coulombic:-14.1643
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.429
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.6
LogP (Chemaxon):4.33

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Descriptor Annotations

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