Chemical ID: 4224554

CC(C)c1ccc(cc1)OCCN2CCCCC2
Chemical ID:
4224554
Name [?]:
1-[2-(4-isopropylphenoxy)ethyl]piperidine
SMILES [?]:
CC(C)c1ccc(cc1)OCCN2CCCCC2
InChi [?]:
InChI=1/C16H25NO/c1-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,5,9,6,8,14,18,12,11,2,4,7,13,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCCCOCCNCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.78201
Area:463.627
Solvation:-2.80866
Coulombic:-13.6752
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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