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Chemical ID: 6708025

Chemical ID:

6708025

Name [?]:

[2-phenyl-1-(1-piperidylcarbonyl)ethyl]ammonium

SMILES [?]:

c1ccc(cc1)CC(C(=O)N2CCCCC2)[NH3+]

InChi [?]:

InChI=1/C14H20N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,15H2/p+1

InChi Info:

AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,7,4,8,9,17,11,10/E:(3,4)(5,6)(7,8)(9,10)/rA:17cCCCCCCCCCONCCCCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s8;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁N₂O+
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	-27.3006
Area:	420.378
Solvation:	-37.8101
Coulombic:	24.9465

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	233.329
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	1.58
LogP (Chemaxon):	1.5

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value