2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol

C18H27NO2 — CID 118739108

IUPAC2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol
SMILESCCOC1CC2(CCN(CCO)CC2)c2ccc(C)cc21
InChIInChI=1S/C18H27NO2/c1-3-21-17-13-18(6-8-19(9-7-18)10-11-20)16-5-4-14(2)12-15(16)17/h4-5,12,17,20H,3,6-11,13H2,1-2H3
InChIKeyVHAQXSNYKBJRJA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.80
Rot. Bonds4

About 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol

2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol (PubChem CID 118739108) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol
PubChem CID118739108
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol
SMILESCCOC1CC2(CCN(CCO)CC2)c2ccc(C)cc21
InChIInChI=1S/C18H27NO2/c1-3-21-17-13-18(6-8-19(9-7-18)10-11-20)16-5-4-14(2)12-15(16)17/h4-5,12,17,20H,3,6-11,13H2,1-2H3
InChIKeyVHAQXSNYKBJRJA-UHFFFAOYSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol?
The IUPAC name of 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol (CID 118739108) is 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol.
What is the SMILES notation for 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol?
The canonical SMILES for 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol is CCOC1CC2(CCN(CCO)CC2)c2ccc(C)cc21.
What is the InChIKey of 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol?
The InChIKey is VHAQXSNYKBJRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-21-17-13-18(6-8-19(9-7-18)10-11-20)16-5-4-14(2)12-15(16)17/h4-5,12,17,20H,3,6-11,13H2,1-2H3.
What are the key properties of 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol?
2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol has a molecular weight of 289.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol is sourced from PubChem (CID 118739108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).