4,4-dimethyl-1-phosphanylpiperidin-2-one

C7H14NOP — CID 143261416

IUPAC4,4-dimethyl-1-phosphanylpiperidin-2-one
SMILESCC1(C)CCN(P)C(=O)C1
InChIInChI=1S/C7H14NOP/c1-7(2)3-4-8(10)6(9)5-7/h3-5,10H2,1-2H3
InChIKeyPFIFGSFDZINHIM-UHFFFAOYSA-N
MW159.17 g/mol
LogP1.43
Rot. Bonds

About 4,4-dimethyl-1-phosphanylpiperidin-2-one

4,4-dimethyl-1-phosphanylpiperidin-2-one (PubChem CID 143261416) has the molecular formula C7H14NOP and a molecular weight of 159.17 g/mol. Its IUPAC name is 4,4-dimethyl-1-phosphanylpiperidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phosphanylpiperidin-2-one
PubChem CID143261416
Molecular FormulaC7H14NOP
Molecular Weight159.17 g/mol
Exact Mass159.08
IUPAC Name4,4-dimethyl-1-phosphanylpiperidin-2-one
SMILESCC1(C)CCN(P)C(=O)C1
InChIInChI=1S/C7H14NOP/c1-7(2)3-4-8(10)6(9)5-7/h3-5,10H2,1-2H3
InChIKeyPFIFGSFDZINHIM-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phosphanylpiperidin-2-one?
The IUPAC name of 4,4-dimethyl-1-phosphanylpiperidin-2-one (CID 143261416) is 4,4-dimethyl-1-phosphanylpiperidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-phosphanylpiperidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-phosphanylpiperidin-2-one is CC1(C)CCN(P)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-phosphanylpiperidin-2-one?
The InChIKey is PFIFGSFDZINHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NOP/c1-7(2)3-4-8(10)6(9)5-7/h3-5,10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-phosphanylpiperidin-2-one?
4,4-dimethyl-1-phosphanylpiperidin-2-one has a molecular weight of 159.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phosphanylpiperidin-2-one is sourced from PubChem (CID 143261416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).