methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate

C16H24NO5P — CID 58600301

IUPACmethyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1P(=O)(OC)OC
InChIInChI=1S/C16H24NO5P/c1-20-16(18)15(13-9-5-4-6-10-13)14-11-7-8-12-17(14)23(19,21-2)22-3/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3
InChIKeyQDKJBGFFCDJJEM-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.20
Rot. Bonds6

About methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate

methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate (PubChem CID 58600301) has the molecular formula C16H24NO5P and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate
PubChem CID58600301
Molecular FormulaC16H24NO5P
Molecular Weight341.34 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1P(=O)(OC)OC
InChIInChI=1S/C16H24NO5P/c1-20-16(18)15(13-9-5-4-6-10-13)14-11-7-8-12-17(14)23(19,21-2)22-3/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3
InChIKeyQDKJBGFFCDJJEM-UHFFFAOYSA-N
XLogP3.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate (CID 58600301) is methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)C1CCCCN1P(=O)(OC)OC.
What is the InChIKey of methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
The InChIKey is QDKJBGFFCDJJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO5P/c1-20-16(18)15(13-9-5-4-6-10-13)14-11-7-8-12-17(14)23(19,21-2)22-3/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3.
What are the key properties of methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate?
methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate has a molecular weight of 341.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-dimethoxyphosphorylpiperidin-2-yl)-2-phenylacetate is sourced from PubChem (CID 58600301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).