ChemDB: Chemical Search
Download
Chemical ID: 7509182
Chemical ID:
7509182
Name [?]:
N-[(3-bromophenyl)methyl]-1-propyl-piperidin-4-amine
SMILES [?]:
CCCN1CCC(CC1)NCc2cccc(c2)Br
InChi [?]:
InChI=1/C15H23BrN2/c1-2-8-18-9-6-15(7-10-18)17-12-13-4-3-5-14(16)11-13/h3-5,11,15,17H,2,6-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,6,8,3,5,9,17,11,12,16,7,18,10,4/E:(6,7)(9,10)/rA:18nCCCNCCCCCNCCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23BrN2 |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5339 |
Area: | 484.186 |
Solvation: | -1.57072 |
Coulombic: | -15.5383 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.51 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|