Chemical ID: 4442581

CCC(C)c1ccc(cc1)OCCCN2CCCC(C2)C
Chemical ID:
4442581
Name [?]:
3-methyl-1-[3-(4-sec-butylphenoxy)propyl]piperidine
SMILES [?]:
CCC(C)c1ccc(cc1)OCCCN2CCCC(C2)C
InChi [?]:
InChI=1/C19H31NO/c1-4-17(3)18-8-10-19(11-9-18)21-14-6-13-20-12-5-7-16(2)15-20/h8-11,16-17H,4-7,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,4,2,17,13,18,6,10,7,9,16,14,12,20,19,3,5,8,15,11/E:(8,9)(10,11)/rA:21cCCCCCCCCCCOCCCNCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:11.152
Area:538.496
Solvation:-2.31045
Coulombic:-15.0333
Bond Count [?]
All:22
Single:19
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.456
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):4.54

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