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Chemical ID: 5011835
Chemical ID:
5011835
Name [?]:
N,N-diethyl-4-(2-piperidyl)aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)C2CCCCN2
InChi [?]:
InChI=1/C15H24N2/c1-3-17(4-2)14-10-8-13(9-11-14)15-7-5-6-12-16-15/h8-11,15-16H,3-7,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,14,15,13,8,10,7,11,16,9,6,12,17,3/E:(1,2)(3,4)(8,9)(10,11)/rA:17cCCNCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64777 |
Area: | 437.151 |
Solvation: | -1.28101 |
Coulombic: | -16.6065 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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