ChemicalDetail: Details for an Individual Chemical

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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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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