Chemical ID: 4730696

COc1ccccc1C2CCN(CC2)C(=O)CCl
Chemical ID:
4730696
Name [?]:
2-chloro-1-[4-(2-methoxyphenyl)-1-piperidyl]-ethanone
SMILES [?]:
COc1ccccc1C2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C14H18ClNO2/c1-18-13-5-3-2-4-12(13)11-6-8-16(9-7-11)14(17)10-15/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,10,14,11,13,17,9,8,3,15,18,12,16,2/E:(6,7)(8,9)/rA:18nCOCCCCCCCCCNCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.68422
Area:455.074
Solvation:-3.69264
Coulombic:-24.0278
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.751
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.25
LogP (Chemaxon):2.07

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Descriptor Annotations

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