1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one

C15H21NO2 — CID 91605385

IUPAC1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
SMILESCCCC(=O)C1(c2ccccc2)CCN(O)CC1
InChIInChI=1S/C15H21NO2/c1-2-6-14(17)15(9-11-16(18)12-10-15)13-7-4-3-5-8-13/h3-5,7-8,18H,2,6,9-12H2,1H3
InChIKeyGYNFTYJHMMLJDI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.78
Rot. Bonds4

About 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one

1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one (PubChem CID 91605385) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
PubChem CID91605385
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
SMILESCCCC(=O)C1(c2ccccc2)CCN(O)CC1
InChIInChI=1S/C15H21NO2/c1-2-6-14(17)15(9-11-16(18)12-10-15)13-7-4-3-5-8-13/h3-5,7-8,18H,2,6,9-12H2,1H3
InChIKeyGYNFTYJHMMLJDI-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one?
The IUPAC name of 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one (CID 91605385) is 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one.
What is the SMILES notation for 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one?
The canonical SMILES for 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one is CCCC(=O)C1(c2ccccc2)CCN(O)CC1.
What is the InChIKey of 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one?
The InChIKey is GYNFTYJHMMLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-6-14(17)15(9-11-16(18)12-10-15)13-7-4-3-5-8-13/h3-5,7-8,18H,2,6,9-12H2,1H3.
What are the key properties of 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one?
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one is sourced from PubChem (CID 91605385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).