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Chemical ID: 7025202

Chemical ID:

7025202

Name [?]:

(3,5-dimethyl-1-piperidyl)-(4-propoxyphenyl)-methanone

SMILES [?]:

CCCOc1ccc(cc1)C(=O)N2CC(CC(C2)C)C

InChi [?]:

InChI=1/C17H25NO2/c1-4-9-20-16-7-5-15(6-8-16)17(19)18-11-13(2)10-14(3)12-18/h5-8,13-14H,4,9-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,20,2,7,9,6,10,3,16,18,14,17,15,8,5,11,13,12,4/E:(2,3)(5,6)(7,8)(11,12)(13,14)/rA:20cCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₅NO₂
All Atoms:	45
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	9.68209
Area:	493.725
Solvation:	-2.66104
Coulombic:	-26.6762

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	275.386
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.72
LogP (Chemaxon):	3.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value