Chemical ID: 4250455

CC1CCN(CC1)C(=O)c2ccccc2N
Chemical ID:
4250455
Name [?]:
(2-aminophenyl)-(4-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)c2ccccc2N
InChi [?]:
InChI=1/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,3,7,4,6,2,10,15,8,16,5,9/E:(6,7)(8,9)/rA:16nCCCCNCCCOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.11167
Area:393.261
Solvation:-1.71985
Coulombic:-35.1704
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.295
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):2.11

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Descriptor Annotations

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