4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine

C20H27NO2 — CID 3024404

IUPAC4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
SMILESCCOC1(c2ccco2)CCN(CCc2ccccc2)CC1C
InChIInChI=1S/C20H27NO2/c1-3-23-20(19-10-7-15-22-19)12-14-21(16-17(20)2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKeyINLMDDDTZIKNNI-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.10
Rot. Bonds6

About 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine

4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine (PubChem CID 3024404) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
PubChem CID3024404
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
SMILESCCOC1(c2ccco2)CCN(CCc2ccccc2)CC1C
InChIInChI=1S/C20H27NO2/c1-3-23-20(19-10-7-15-22-19)12-14-21(16-17(20)2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKeyINLMDDDTZIKNNI-UHFFFAOYSA-N
XLogP4.10
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(2-phenylethyl)-4-prop-2-ynylpiperidin-4-yl] propanoate
CID 165360334
3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
CID 70611057
4-[2-[(3R,4S)-3,4-dimethyl-4-phenylpiperidin-1-yl]ethyl]phenol;hydrobromide
CID 70588688
9-ethoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
CID 24833907
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
(3S,4R)-4-(hydroxymethyl)-1-(2-phenylethyl)-4-propylpiperidin-3-ol
CID 155912185
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
(3R,4S)-3,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]-4-phenylpiperidine;hydrochloride
CID 70588703
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide
CID 23000924
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine (CID 3024404) is 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine is CCOC1(c2ccco2)CCN(CCc2ccccc2)CC1C.
What is the InChIKey of 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
The InChIKey is INLMDDDTZIKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-23-20(19-10-7-15-22-19)12-14-21(16-17(20)2)13-11-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3.
What are the key properties of 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine has a molecular weight of 313.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 3024404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).