(6S)-6-(phosphanyloxymethyl)piperidin-2-one

C6H12NO2P — CID 142175723

IUPAC(6S)-6-(phosphanyloxymethyl)piperidin-2-one
SMILESO=C1CCC[C@@H](COP)N1
InChIInChI=1S/C6H12NO2P/c8-6-3-1-2-5(7-6)4-9-10/h5H,1-4,10H2,(H,7,8)/t5-/m0/s1
InChIKeySGPRVFKTIAHGDQ-YFKPBYRVSA-N
MW161.14 g/mol
LogP0.46
Rot. Bonds2

About (6S)-6-(phosphanyloxymethyl)piperidin-2-one

(6S)-6-(phosphanyloxymethyl)piperidin-2-one (PubChem CID 142175723) has the molecular formula C6H12NO2P and a molecular weight of 161.14 g/mol. Its IUPAC name is (6S)-6-(phosphanyloxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-(phosphanyloxymethyl)piperidin-2-one
PubChem CID142175723
Molecular FormulaC6H12NO2P
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name(6S)-6-(phosphanyloxymethyl)piperidin-2-one
SMILESO=C1CCC[C@@H](COP)N1
InChIInChI=1S/C6H12NO2P/c8-6-3-1-2-5(7-6)4-9-10/h5H,1-4,10H2,(H,7,8)/t5-/m0/s1
InChIKeySGPRVFKTIAHGDQ-YFKPBYRVSA-N
XLogP0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 (6S)-6-(phosphanyloxymethyl)piperidin-2-one?
The IUPAC name of (6S)-6-(phosphanyloxymethyl)piperidin-2-one (CID 142175723) is (6S)-6-(phosphanyloxymethyl)piperidin-2-one.
What is the SMILES notation for (6S)-6-(phosphanyloxymethyl)piperidin-2-one?
The canonical SMILES for (6S)-6-(phosphanyloxymethyl)piperidin-2-one is O=C1CCC[C@@H](COP)N1.
What is the InChIKey of (6S)-6-(phosphanyloxymethyl)piperidin-2-one?
The InChIKey is SGPRVFKTIAHGDQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12NO2P/c8-6-3-1-2-5(7-6)4-9-10/h5H,1-4,10H2,(H,7,8)/t5-/m0/s1.
What are the key properties of (6S)-6-(phosphanyloxymethyl)piperidin-2-one?
(6S)-6-(phosphanyloxymethyl)piperidin-2-one has a molecular weight of 161.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(phosphanyloxymethyl)piperidin-2-one is sourced from PubChem (CID 142175723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).