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Chemical ID: 4424699

Chemical ID:

4424699

Name [?]:

(1-methyl-3-piperidyl) 2,2-diphenylpropanoate

SMILES [?]:

CC(c1ccccc1)(c2ccccc2)C(=O)OC3CCCN(C3)C

InChi [?]:

InChI=1/C21H25NO2/c1-21(17-10-5-3-6-11-17,18-12-7-4-8-13-18)20(23)24-19-14-9-15-22(2)16-19/h3-8,10-13,19H,9,14-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,6,12,5,7,11,13,20,4,8,10,14,19,21,23,3,9,18,15,2,22,16,17/E:(3,4)(5,6,7,8)(10,11,12,13)(17,18)/rA:24cCCCCCCCCCCCCCCCOOCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s11;d12;d9s13;s2;d15;s15;s17;s18;s19;s20;s21;s18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	2

ZAP Information [?]

Total:	10.9743
Area:	527.552
Solvation:	-2.21451
Coulombic:	-28.7889

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.429
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.54
LogP (Chemaxon):	4.61

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