Chemical ID: 4285964

c1cc(cc(c1)Cl)OCCCCCN2CCCCC2
Chemical ID:
4285964
Name [?]:
1-[5-(3-chlorophenoxy)pentyl]piperidine
SMILES [?]:
c1cc(cc(c1)Cl)OCCCCCN2CCCCC2
InChi [?]:
InChI=1/C16H24ClNO/c17-15-8-7-9-16(14-15)19-13-6-2-5-12-18-10-3-1-4-11-18/h7-9,14H,1-6,10-13H2
InChi Info:
AuxInfo=1/0/N:17,11,16,18,12,10,1,6,2,15,19,13,9,4,5,3,7,14,8/E:(3,4)(10,11)/rA:19nCCCCCCClOCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.6454
Area:516.807
Solvation:-2.27476
Coulombic:-14.5609
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.821
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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