Chemical ID: 5527815

CC1CCCN(C1)c2c(cc3ccccc3n2)C=O
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

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Descriptor Annotations

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