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Chemical ID: 4285964
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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