Chemical ID: 4747493

c1cc(ccc1c2cncn2N3CCCCC3)Cl
Chemical ID:
4747493
Name [?]:
1-[5-(4-chlorophenyl)imidazol-1-yl]piperidine
SMILES [?]:
c1cc(ccc1c2cncn2N3CCCCC3)Cl
InChi [?]:
InChI=1/C14H16ClN3/c15-13-6-4-12(5-7-13)14-10-16-11-18(14)17-8-2-1-3-9-17/h4-7,10-11H,1-3,8-9H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,5,2,4,13,17,8,10,6,3,7,18,9,12,11/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCCNCNNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16ClN3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.14803
Area:438.986
Solvation:-1.82661
Coulombic:-12.4947
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.75
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.54
LogP (Chemaxon):2.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue