Chemical ID: 5168231

c1cc(cnc1)CN2CCN(CC2)C3CCCCC3
Chemical ID:
5168231
Name [?]:
1-cyclohexyl-4-(3-pyridylmethyl)piperazine
SMILES [?]:
c1cc(cnc1)CN2CCN(CC2)C3CCCCC3
InChi [?]:
InChI=1/C16H25N3/c1-2-6-16(7-3-1)19-11-9-18(10-12-19)14-15-5-4-8-17-13-15/h4-5,8,13,16H,1-3,6-7,9-12,14H2
InChi Info:
AuxInfo=1/0/N:17,16,18,1,2,15,19,6,9,13,10,12,4,7,3,14,5,8,11/E:(2,3)(6,7)(9,10)(11,12)/rA:19nCCCCNCCNCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.28068
Area:457.394
Solvation:-2.15417
Coulombic:-15.1347
Bond Count [?]
All:21
Single:18
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.39
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.99
LogP (Chemaxon):2.01

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Descriptor Annotations

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