(1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one

C14H20N2O2 — CID 169094132

IUPAC(1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)[C@@H](Nc1ccccc1O)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-11(17)14(16-9-5-2-6-10-16)15-12-7-3-4-8-13(12)18/h3-4,7-8,14-15,18H,2,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyQQJRMDILQBQCCP-AWEZNQCLSA-N
MW248.33 g/mol
LogP2.21
Rot. Bonds4

About (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one

(1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one (PubChem CID 169094132) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name(1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one
PubChem CID169094132
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)[C@@H](Nc1ccccc1O)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-11(17)14(16-9-5-2-6-10-16)15-12-7-3-4-8-13(12)18/h3-4,7-8,14-15,18H,2,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyQQJRMDILQBQCCP-AWEZNQCLSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one?
The IUPAC name of (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one (CID 169094132) is (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one is CC(=O)[C@@H](Nc1ccccc1O)N1CCCCC1.
What is the InChIKey of (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one?
The InChIKey is QQJRMDILQBQCCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)14(16-9-5-2-6-10-16)15-12-7-3-4-8-13(12)18/h3-4,7-8,14-15,18H,2,5-6,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one?
(1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-hydroxyanilino)-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 169094132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).