2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C24H38N2O2 — CID 156516046

IUPAC2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)c1ccc(N2CCC(O)(CC(=O)N3CCC(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H38N2O2/c1-18(2)20-5-7-22(8-6-20)25-15-11-24(28,12-16-25)17-23(27)26-13-9-21(10-14-26)19(3)4/h5-8,18-19,21,28H,9-17H2,1-4H3
InChIKeyOCAOWBQFGUIDMM-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.43
Rot. Bonds5

About 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 156516046) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID156516046
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)c1ccc(N2CCC(O)(CC(=O)N3CCC(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H38N2O2/c1-18(2)20-5-7-22(8-6-20)25-15-11-24(28,12-16-25)17-23(27)26-13-9-21(10-14-26)19(3)4/h5-8,18-19,21,28H,9-17H2,1-4H3
InChIKeyOCAOWBQFGUIDMM-UHFFFAOYSA-N
XLogP4.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 156516046) is 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)c1ccc(N2CCC(O)(CC(=O)N3CCC(C(C)C)CC3)CC2)cc1.
What is the InChIKey of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is OCAOWBQFGUIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-18(2)20-5-7-22(8-6-20)25-15-11-24(28,12-16-25)17-23(27)26-13-9-21(10-14-26)19(3)4/h5-8,18-19,21,28H,9-17H2,1-4H3.
What are the key properties of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 386.58 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 156516046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).