1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one

C16H23NO2 — CID 71748883

IUPAC1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C16H23NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,18H,2-4,9-12H2,1H3
InChIKeyMBFHFUBFALKDKH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.48
Rot. Bonds5

About 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one

1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 71748883) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID71748883
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C16H23NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,18H,2-4,9-12H2,1H3
InChIKeyMBFHFUBFALKDKH-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one (CID 71748883) is 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one is CC(CN1CCCCC1)C(=O)c1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is MBFHFUBFALKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,18H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one?
1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 71748883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).