ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6526609

Chemical ID:

6526609

Name [?]:

cyclopropyl-(4-phenyl-1-piperidyl)-methanone

SMILES [?]:

c1ccc(cc1)C2CCN(CC2)C(=O)C3CC3

InChi [?]:

InChI=1/C15H19NO/c17-15(14-6-7-14)16-10-8-13(9-11-16)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,16,17,8,12,9,11,4,7,15,13,10,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:17nCCCCCCCCCNCCCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉NO
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.67832
Area:	423.281
Solvation:	-1.90369
Coulombic:	-17.688

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	229.318
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.3
LogP (Chemaxon):	2.42

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

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Chemical Mix	Source	External ID	Descriptor	Value