1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one

C18H25NO3 — CID 82187352

IUPAC1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one
SMILESCc1cc(C)c2c(c1)OC(C)(C)C(N1CCC(=O)CC1)C2O
InChIInChI=1S/C18H25NO3/c1-11-9-12(2)15-14(10-11)22-18(3,4)17(16(15)21)19-7-5-13(20)6-8-19/h9-10,16-17,21H,5-8H2,1-4H3
InChIKeyDQIBMVXUOJLOGI-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.54
Rot. Bonds1

About 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one

1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one (PubChem CID 82187352) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one
PubChem CID82187352
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one
SMILESCc1cc(C)c2c(c1)OC(C)(C)C(N1CCC(=O)CC1)C2O
InChIInChI=1S/C18H25NO3/c1-11-9-12(2)15-14(10-11)22-18(3,4)17(16(15)21)19-7-5-13(20)6-8-19/h9-10,16-17,21H,5-8H2,1-4H3
InChIKeyDQIBMVXUOJLOGI-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one?
The IUPAC name of 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one (CID 82187352) is 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one?
The canonical SMILES for 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one is Cc1cc(C)c2c(c1)OC(C)(C)C(N1CCC(=O)CC1)C2O.
What is the InChIKey of 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one?
The InChIKey is DQIBMVXUOJLOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11-9-12(2)15-14(10-11)22-18(3,4)17(16(15)21)19-7-5-13(20)6-8-19/h9-10,16-17,21H,5-8H2,1-4H3.
What are the key properties of 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one?
1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one has a molecular weight of 303.40 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one is sourced from PubChem (CID 82187352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).