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Chemical ID: 4441282

Chemical ID:

4441282

Name [?]:

1-[2-(2-methoxy-4-prop-1-enyl-phenoxy)ethyl]-3,5-dimethyl-piperidine

SMILES [?]:

CC=Cc1ccc(c(c1)OC)OCCN2CC(CC(C2)C)C

InChi [?]:

InChI=1/C19H29NO2/c1-5-6-17-7-8-18(19(12-17)21-4)22-10-9-20-13-15(2)11-16(3)14-20/h5-8,12,15-16H,9-11,13-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,21,22,11,2,3,5,6,14,13,18,9,20,16,19,17,4,7,8,15,10,12/E:(2,3)(13,14)(15,16)/rA:22cCCCCCCCCCOCOCCNCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;s14;s15;s16;s17;s18;s15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₉NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	8.35275
Area:	537.874
Solvation:	-5.09411
Coulombic:	-20.7607

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	303.439
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.36
LogP (Chemaxon):	4.05

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