1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine

C23H35NO2 — CID 14895661

IUPAC1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine
SMILESCC1(C)OC2(C)CCC1CC2(OCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H35NO2/c1-21(2)20-12-13-22(3,26-21)23(18-20,19-10-6-4-7-11-19)25-17-16-24-14-8-5-9-15-24/h4,6-7,10-11,20H,5,8-9,12-18H2,1-3H3
InChIKeyDNGANGVURLWLDD-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine

1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine (PubChem CID 14895661) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine
PubChem CID14895661
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine
SMILESCC1(C)OC2(C)CCC1CC2(OCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H35NO2/c1-21(2)20-12-13-22(3,26-21)23(18-20,19-10-6-4-7-11-19)25-17-16-24-14-8-5-9-15-24/h4,6-7,10-11,20H,5,8-9,12-18H2,1-3H3
InChIKeyDNGANGVURLWLDD-UHFFFAOYSA-N
XLogP4.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine with MolForge

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Related Compounds

(3S)-3-[[(2R)-6,6-diphenyl-1,4-dioxan-2-yl]methoxy]-1-azabicyclo[2.2.2]octane
CID 145960466
(3S)-3-[[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]methoxy]-1-azabicyclo[2.2.2]octane
CID 145960827
(3R)-3-[[(2R)-6,6-diphenyl-1,4-dioxan-2-yl]methoxy]-1-azabicyclo[2.2.2]octane
CID 145961161
(3R)-3-[[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]methoxy]-1-azabicyclo[2.2.2]octane
CID 145963288
9,10-Ethanoanthracene, 9,10-dihydro-9-(2-piperidinoethoxy)-, hydrochloride
CID 202273
1-[2-[(1R,5S)-3,3,5-trimethyl-1-phenylcyclohexyl]oxyethyl]piperidine
CID 3246354
Piperidinium, 1-(2-(9,10-dihydro-9,10-ethano-9-anthryloxy)ethyl)-1-methyl-, iodide
CID 203929
2-(4-Cyclohexylphenyl)-2,4-dimethylmorpholine--hydrogen chloride (1/1)
CID 3066069
1-[2-(3,3,5-Trimethyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
CID 24189785
1-(2-((3,3,5-Trimethyl-1-phenylcyclohexyl)oxy)ethyl)piperidine
CID 417879
1-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidine
CID 202274
4-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]morpholine
CID 203894

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine (CID 14895661) is 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine is CC1(C)OC2(C)CCC1CC2(OCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine?
The InChIKey is DNGANGVURLWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-21(2)20-12-13-22(3,26-21)23(18-20,19-10-6-4-7-11-19)25-17-16-24-14-8-5-9-15-24/h4,6-7,10-11,20H,5,8-9,12-18H2,1-3H3.
What are the key properties of 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine?
1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine has a molecular weight of 357.54 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine is sourced from PubChem (CID 14895661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).