(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol

C10H22NO4P — CID 51412260

IUPAC(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
SMILESCOP(=O)(OC)[C@]1(O)C[C@@H](C)N(C)C[C@H]1C
InChIInChI=1S/C10H22NO4P/c1-8-7-11(3)9(2)6-10(8,12)16(13,14-4)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-,10-/m1/s1
InChIKeyANRNCSUBAGMGGV-OPRDCNLKSA-N
MW251.26 g/mol
LogP1.52
Rot. Bonds3

About (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol

(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol (PubChem CID 51412260) has the molecular formula C10H22NO4P and a molecular weight of 251.26 g/mol. Its IUPAC name is (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
PubChem CID51412260
Molecular FormulaC10H22NO4P
Molecular Weight251.26 g/mol
Exact Mass251.13
IUPAC Name(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
SMILESCOP(=O)(OC)[C@]1(O)C[C@@H](C)N(C)C[C@H]1C
InChIInChI=1S/C10H22NO4P/c1-8-7-11(3)9(2)6-10(8,12)16(13,14-4)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-,10-/m1/s1
InChIKeyANRNCSUBAGMGGV-OPRDCNLKSA-N
XLogP1.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol (CID 51412260) is (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol is COP(=O)(OC)[C@]1(O)C[C@@H](C)N(C)C[C@H]1C.
What is the InChIKey of (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is ANRNCSUBAGMGGV-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H22NO4P/c1-8-7-11(3)9(2)6-10(8,12)16(13,14-4)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-,10-/m1/s1.
What are the key properties of (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol?
(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 251.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 51412260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).