Chemical ID: 4821061

c1ccnc(c1)CN2CCC(CC2)N3CCCCCC3
Chemical ID:
4821061
Name [?]:
1-[1-(2-pyridylmethyl)-4-piperidyl]azepane
SMILES [?]:
c1ccnc(c1)CN2CCC(CC2)N3CCCCCC3
InChi [?]:
InChI=1/C17H27N3/c1-2-6-12-20(11-5-1)17-8-13-19(14-9-17)15-16-7-3-4-10-18-16/h3-4,7,10,17H,1-2,5-6,8-9,11-15H2
InChi Info:
AuxInfo=1/0/N:17,18,1,2,16,19,6,10,12,3,15,20,9,13,7,5,11,4,8,14/E:(1,2)(5,6)(8,9)(11,12)(13,14)/rA:20nCCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.34418
Area:470.394
Solvation:-2.41566
Coulombic:-15.0517
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.417
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.23
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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