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

C20H27NO2 — CID 13082447

IUPAC(3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
SMILESCCO[C@]1(c2ccco2)CCN(CCc2ccccc2)C[C@H]1C
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/t17-,20-/m1/s1
InChIKeyINLMDDDTZIKNNI-YLJYHZDGSA-N
MW313.44 g/mol
LogP4.10
Rot. Bonds6

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

(3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine (PubChem CID 13082447) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
PubChem CID13082447
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine
SMILESCCO[C@]1(c2ccco2)CCN(CCc2ccccc2)C[C@H]1C
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/t17-,20-/m1/s1
InChIKeyINLMDDDTZIKNNI-YLJYHZDGSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
The IUPAC name of (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine (CID 13082447) is (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine.
What is the SMILES notation for (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
The canonical SMILES for (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine is CCO[C@]1(c2ccco2)CCN(CCc2ccccc2)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
The InChIKey is INLMDDDTZIKNNI-YLJYHZDGSA-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/t17-,20-/m1/s1.
What are the key properties of (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine?
(3R,4R)-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 (3R,4R)-4-ethoxy-4-(furan-2-yl)-3-methyl-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 13082447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).