Chemical ID: 4413082

CCC(C)c1ccc(cc1)OCCN2CCCCC2
Chemical ID:
4413082
Name [?]:
1-[2-(4-sec-butylphenoxy)ethyl]piperidine
SMILES [?]:
CCC(C)c1ccc(cc1)OCCN2CCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-3-15(2)16-7-9-17(10-8-16)19-14-13-18-11-5-4-6-12-18/h7-10,15H,3-6,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,17,16,18,6,10,7,9,15,19,13,12,3,5,8,14,11/E:(5,6)(7,8)(9,10)(11,12)/rA:19cCCCCCCCCCCOCCNCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.3689
Area:487.314
Solvation:-2.81395
Coulombic:-14.0203
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):4.09

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