Chemical ID: 4980156

CC(C(=O)c1ccc(cc1)Cl)N2CCCCC2
Chemical ID:
4980156
Name [?]:
1-(4-chlorophenyl)-2-(1-piperidyl)propan-1-one
SMILES [?]:
CC(C(=O)c1ccc(cc1)Cl)N2CCCCC2
InChi [?]:
InChI=1/C14H18ClNO/c1-11(16-9-3-2-4-10-16)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,6,10,7,9,13,17,2,5,8,3,11,12,4/E:(3,4)(5,6)(7,8)(9,10)/rA:17cCCCOCCCCCCClNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s2;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.48543
Area:434.901
Solvation:-2.38708
Coulombic:-14.7172
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.752
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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