Chemical ID: 7514827

Cc1ccc(cc1OCCCCN2CCCCC2)C(C)C
Chemical ID:
7514827
Name [?]:
1-[4-(5-isopropyl-2-methyl-phenoxy)butyl]piperidine
SMILES [?]:
Cc1ccc(cc1OCCCCN2CCCCC2)C(C)C
InChi [?]:
InChI=1/C19H31NO/c1-16(2)18-10-9-17(3)19(15-18)21-14-8-7-13-20-11-5-4-6-12-20/h9-10,15-16H,4-8,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,16,15,17,11,10,3,4,14,18,12,9,6,19,2,5,7,13,8/E:(1,2)(5,6)(11,12)/rA:21nCCCCCCCOCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s5;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31NO
All Atoms:52
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:11.2949
Area:539.318
Solvation:-2.18807
Coulombic:-14.6827
Bond Count [?]
All:22
Single:19
Double:3
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.0
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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