Chemical ID: 4227469

CC1CCC(CC1)N2CCN(CC2)Cc3ccccn3
Chemical ID:
4227469
Name [?]:
1-(4-methylcyclohexyl)-4-(2-pyridylmethyl)piperazine
SMILES [?]:
CC1CCC(CC1)N2CCN(CC2)Cc3ccccn3
InChi [?]:
InChI=1/C17H27N3/c1-15-5-7-17(8-6-15)20-12-10-19(11-13-20)14-16-4-2-3-9-18-16/h2-4,9,15,17H,5-8,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,3,7,4,6,19,10,12,9,13,14,2,15,5,20,11,8/E:(5,6)(7,8)(10,11)(12,13)/rA:20nCCCCCCCNCCNCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.94695
Area:477.062
Solvation:-1.97959
Coulombic:-15.8289
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:2.59
LogP (Chemaxon):2.49

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Descriptor Annotations

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