Chemical ID: 4178558

CCOC(=O)C1CCCN(C1)Cc2ccccc2OCC=C
Chemical ID:
4178558
Name [?]:
ethyl 1-[(2-allyloxyphenyl)methyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)Cc2ccccc2OCC=C
InChi [?]:
InChI=1/C18H25NO3/c1-3-12-22-17-10-6-5-8-15(17)13-19-11-7-9-16(14-19)18(20)21-4-2/h3,5-6,8,10,16H,1,4,7,9,11-14H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,2,15,16,8,14,7,17,9,20,12,11,13,6,18,4,10,5,3,19/rA:22cCCOCOCCCCNCCCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.60398
Area:536.933
Solvation:-3.81934
Coulombic:-33.0013
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.396
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):2.99

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Descriptor Annotations

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