Chemical ID: 4951876

CC1CCCCN1CCOc2ccccc2Cc3ccccc3
Chemical ID:
4951876
Name [?]:
1-[2-(2-benzylphenoxy)ethyl]-2-methyl-piperidine
SMILES [?]:
CC1CCCCN1CCOc2ccccc2Cc3ccccc3
InChi [?]:
InChI=1/C21H27NO/c1-18-9-7-8-14-22(18)15-16-23-21-13-6-5-12-20(21)17-19-10-3-2-4-11-19/h2-6,10-13,18H,7-9,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,14,13,4,5,3,19,23,15,12,6,8,9,17,2,18,16,11,7,10/E:(3,4)(10,11)/rA:23cCCCCCCNCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.1518
Area:524.772
Solvation:-2.96753
Coulombic:-15.2348
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.445
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.87
LogP (Chemaxon):4.99

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Descriptor Annotations

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