2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

C27H33NO6 — CID 135126546

IUPAC2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCCCC4)c(C)c3)oc2c1
InChIInChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
InChIKeyCSTRBRUZBLYKBT-HXUWFJFHSA-N
MW467.56 g/mol
LogP4.32
Rot. Bonds8

About 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one (PubChem CID 135126546) has the molecular formula C27H33NO6 and a molecular weight of 467.56 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
PubChem CID135126546
Molecular FormulaC27H33NO6
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Name2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCCCC4)c(C)c3)oc2c1
InChIInChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
InChIKeyCSTRBRUZBLYKBT-HXUWFJFHSA-N
XLogP4.32
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one with MolForge

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Related Compounds

2-[3,5-dimethyl-4-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dimethoxychromen-4-one
CID 135144046
2-[4-[(2R)-3-(4,4-difluoropiperidin-1-yl)-2-hydroxypropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one;2-[3,5-dimethyl-4-[[(2R)-oxiran-2-yl]methoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 159039677
2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
CID 159111191
2-[3,5-dimethyl-4-(3-piperazin-1-ylpropoxy)phenyl]-5,7-dimethoxychromen-4-one
CID 142378937
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
CID 130230703
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
1-(azocan-1-yl)-3-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45248101
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one (CID 135126546) is 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCCCC4)c(C)c3)oc2c1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is CSTRBRUZBLYKBT-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 467.56 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 135126546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).