6-(2-piperidin-1-ylethoxy)chromen-4-one

C16H19NO3 — CID 141195299

IUPAC6-(2-piperidin-1-ylethoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCN3CCCCC3)cc12
InChIInChI=1S/C16H19NO3/c18-15-6-10-20-16-5-4-13(12-14(15)16)19-11-9-17-7-2-1-3-8-17/h4-6,10,12H,1-3,7-9,11H2
InChIKeyQHEJWPZQXKOWJH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.66
Rot. Bonds4

About 6-(2-piperidin-1-ylethoxy)chromen-4-one

6-(2-piperidin-1-ylethoxy)chromen-4-one (PubChem CID 141195299) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)chromen-4-one
PubChem CID141195299
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-(2-piperidin-1-ylethoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCN3CCCCC3)cc12
InChIInChI=1S/C16H19NO3/c18-15-6-10-20-16-5-4-13(12-14(15)16)19-11-9-17-7-2-1-3-8-17/h4-6,10,12H,1-3,7-9,11H2
InChIKeyQHEJWPZQXKOWJH-UHFFFAOYSA-N
XLogP2.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Ketocaine
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N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
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1-Propanone, 3-(4-morpholinyl)-1-(4-(phenylmethoxy)phenyl)-, hydrochloride
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2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
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8-Methoxy-2-morpholin-4-yl-chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethoxy)chromen-4-one?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)chromen-4-one (CID 141195299) is 6-(2-piperidin-1-ylethoxy)chromen-4-one.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)chromen-4-one?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)chromen-4-one is O=c1ccoc2ccc(OCCN3CCCCC3)cc12.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)chromen-4-one?
The InChIKey is QHEJWPZQXKOWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15-6-10-20-16-5-4-13(12-14(15)16)19-11-9-17-7-2-1-3-8-17/h4-6,10,12H,1-3,7-9,11H2.
What are the key properties of 6-(2-piperidin-1-ylethoxy)chromen-4-one?
6-(2-piperidin-1-ylethoxy)chromen-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethoxy)chromen-4-one is sourced from PubChem (CID 141195299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).