1-(phosphanylmethyl)piperidin-3-one

C6H12NOP — CID 89305363

IUPAC1-(phosphanylmethyl)piperidin-3-one
SMILESO=C1CCCN(CP)C1
InChIInChI=1S/C6H12NOP/c8-6-2-1-3-7(4-6)5-9/h1-5,9H2
InChIKeyUVTHSQQRWMXOON-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.48
Rot. Bonds1

About 1-(phosphanylmethyl)piperidin-3-one

1-(phosphanylmethyl)piperidin-3-one (PubChem CID 89305363) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-(phosphanylmethyl)piperidin-3-one.

Molecular Properties

Compound Name1-(phosphanylmethyl)piperidin-3-one
PubChem CID89305363
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name1-(phosphanylmethyl)piperidin-3-one
SMILESO=C1CCCN(CP)C1
InChIInChI=1S/C6H12NOP/c8-6-2-1-3-7(4-6)5-9/h1-5,9H2
InChIKeyUVTHSQQRWMXOON-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(phosphanylmethyl)piperidin-3-one?
The IUPAC name of 1-(phosphanylmethyl)piperidin-3-one (CID 89305363) is 1-(phosphanylmethyl)piperidin-3-one.
What is the SMILES notation for 1-(phosphanylmethyl)piperidin-3-one?
The canonical SMILES for 1-(phosphanylmethyl)piperidin-3-one is O=C1CCCN(CP)C1.
What is the InChIKey of 1-(phosphanylmethyl)piperidin-3-one?
The InChIKey is UVTHSQQRWMXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NOP/c8-6-2-1-3-7(4-6)5-9/h1-5,9H2.
What are the key properties of 1-(phosphanylmethyl)piperidin-3-one?
1-(phosphanylmethyl)piperidin-3-one has a molecular weight of 145.14 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phosphanylmethyl)piperidin-3-one is sourced from PubChem (CID 89305363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).