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Chemical ID: 5527815
Chemical ID:
5527815
Name [?]:
2-(3-methyl-1-piperidyl)quinoline-3-carbaldehyde
SMILES [?]:
CC1CCCN(C1)c2c(cc3ccccc3n2)C=O
InChi [?]:
InChI=1/C16H18N2O/c1-12-5-4-8-18(10-12)16-14(11-19)9-13-6-2-3-7-15(13)17-16/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,4,3,12,15,5,10,7,18,2,11,9,16,8,17,6,19/rA:19cCCCCCNCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s9;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.67768 |
Area: | 431.635 |
Solvation: | -2.1132 |
Coulombic: | -21.3249 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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