Chemical ID: 4665700

CC(C)(C)N1CCC(CC1)c2ccc(cc2)Cl
Chemical ID:
4665700
Name [?]:
4-(4-chlorophenyl)-1-tert-butyl-piperidine
SMILES [?]:
CC(C)(C)N1CCC(CC1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H22ClN/c1-15(2,3)17-10-8-13(9-11-17)12-4-6-14(16)7-5-12/h4-7,13H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,16,13,15,7,9,6,10,11,8,14,2,17,5/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:17nCCCCNCCCCCCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22ClN
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.0197
Area:440.326
Solvation:-0.988461
Coulombic:-7.50875
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.795
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.23
LogP (Chemaxon):3.78

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