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Chemical ID: 7027342

Chemical ID:

7027342

Name [?]:

1-(3,5-dimethyl-1-piperidyl)-3-phenoxy-propan-2-ol

SMILES [?]:

CC1CC(CN(C1)CC(COc2ccccc2)O)C

InChi [?]:

InChI=1/C16H25NO2/c1-13-8-14(2)10-17(9-13)11-15(18)12-19-16-6-4-3-5-7-16/h3-7,13-15,18H,8-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,15,14,16,13,17,3,7,5,8,10,2,4,9,12,6,18,11/E:(1,2)(4,5)(6,7)(9,10)(13,14)/rA:19cCCCCCNCCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅NO₂
All Atoms:	44
Heavy Atoms:	19
Chiral Atoms:	3

ZAP Information [?]

Total:	7.68152
Area:	483.337
Solvation:	-4.4019
Coulombic:	-30.2553

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	263.375
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.58
LogP (Chemaxon):	2.93

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