2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one

C23H25NO3 — CID 110175833

IUPAC2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one
SMILESCC(CN1CCCCC1)Oc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C23H25NO3/c1-17(16-24-13-5-2-6-14-24)26-19-11-9-18(10-12-19)23-15-21(25)20-7-3-4-8-22(20)27-23/h3-4,7-12,15,17H,2,5-6,13-14,16H2,1H3
InChIKeyJMUSJDYBWSSCJK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.71
Rot. Bonds5

About 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one

2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one (PubChem CID 110175833) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one
PubChem CID110175833
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one
SMILESCC(CN1CCCCC1)Oc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C23H25NO3/c1-17(16-24-13-5-2-6-14-24)26-19-11-9-18(10-12-19)23-15-21(25)20-7-3-4-8-22(20)27-23/h3-4,7-12,15,17H,2,5-6,13-14,16H2,1H3
InChIKeyJMUSJDYBWSSCJK-UHFFFAOYSA-N
XLogP4.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-phenylchromen-4-one
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2-(4-nonoxyphenyl)chromen-4-one
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2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
CID 170553002
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060
cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
CID 2978712
2-[2-(dimethylamino)ethoxy]ethanol;2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]chromen-4-one;methane
CID 161225151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one?
The IUPAC name of 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one (CID 110175833) is 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one?
The canonical SMILES for 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one is CC(CN1CCCCC1)Oc1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one?
The InChIKey is JMUSJDYBWSSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17(16-24-13-5-2-6-14-24)26-19-11-9-18(10-12-19)23-15-21(25)20-7-3-4-8-22(20)27-23/h3-4,7-12,15,17H,2,5-6,13-14,16H2,1H3.
What are the key properties of 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one?
2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one has a molecular weight of 363.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-piperidin-1-ylpropan-2-yloxy)phenyl]chromen-4-one is sourced from PubChem (CID 110175833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).