1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone

C24H33NO3 — CID 59337331

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC(CO)CC1
InChIInChI=1S/C24H33NO3/c26-15-16-6-8-25(9-7-16)22(27)14-24(19-4-2-1-3-5-19)20-10-17-11-21(24)13-18(12-20)23(17)28/h1-5,16-18,20-21,23,26,28H,6-15H2
InChIKeyOIHMLNQBVZXZLM-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.97
Rot. Bonds4

About 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone

1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone (PubChem CID 59337331) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
PubChem CID59337331
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC(CO)CC1
InChIInChI=1S/C24H33NO3/c26-15-16-6-8-25(9-7-16)22(27)14-24(19-4-2-1-3-5-19)20-10-17-11-21(24)13-18(12-20)23(17)28/h1-5,16-18,20-21,23,26,28H,6-15H2
InChIKeyOIHMLNQBVZXZLM-UHFFFAOYSA-N
XLogP2.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone (CID 59337331) is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone is O=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone?
The InChIKey is OIHMLNQBVZXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c26-15-16-6-8-25(9-7-16)22(27)14-24(19-4-2-1-3-5-19)20-10-17-11-21(24)13-18(12-20)23(17)28/h1-5,16-18,20-21,23,26,28H,6-15H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone?
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone has a molecular weight of 383.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone is sourced from PubChem (CID 59337331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).