6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

C19H27NO2 — CID 18794617

IUPAC6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc2c(c1)CCC(CCN1CCCCC1)C2=O
InChIInChI=1S/C19H27NO2/c1-2-22-17-8-9-18-16(14-17)7-6-15(19(18)21)10-13-20-11-4-3-5-12-20/h8-9,14-15H,2-7,10-13H2,1H3
InChIKeyJDUWNMCEWFCWMY-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.71
Rot. Bonds5

About 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 18794617) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID18794617
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc2c(c1)CCC(CCN1CCCCC1)C2=O
InChIInChI=1S/C19H27NO2/c1-2-22-17-8-9-18-16(14-17)7-6-15(19(18)21)10-13-20-11-4-3-5-12-20/h8-9,14-15H,2-7,10-13H2,1H3
InChIKeyJDUWNMCEWFCWMY-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 18794617) is 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is CCOc1ccc2c(c1)CCC(CCN1CCCCC1)C2=O.
What is the InChIKey of 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JDUWNMCEWFCWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-22-17-8-9-18-16(14-17)7-6-15(19(18)21)10-13-20-11-4-3-5-12-20/h8-9,14-15H,2-7,10-13H2,1H3.
What are the key properties of 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?
6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 18794617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).