morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid

C12H19N2O3P — CID 684643

IUPACmorpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
SMILESO=P(O)(CCc1ccccn1)CN1CCOCC1
InChIInChI=1S/C12H19N2O3P/c15-18(16,11-14-6-8-17-9-7-14)10-4-12-3-1-2-5-13-12/h1-3,5H,4,6-11H2,(H,15,16)
InChIKeyOZWVVTCJUTWCLN-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.18
Rot. Bonds5

About morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid

morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid (PubChem CID 684643) has the molecular formula C12H19N2O3P and a molecular weight of 270.27 g/mol. Its IUPAC name is morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid.

Molecular Properties

Compound Namemorpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
PubChem CID684643
Molecular FormulaC12H19N2O3P
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Namemorpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
SMILESO=P(O)(CCc1ccccn1)CN1CCOCC1
InChIInChI=1S/C12H19N2O3P/c15-18(16,11-14-6-8-17-9-7-14)10-4-12-3-1-2-5-13-12/h1-3,5H,4,6-11H2,(H,15,16)
InChIKeyOZWVVTCJUTWCLN-UHFFFAOYSA-N
XLogP1.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
The IUPAC name of morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid (CID 684643) is morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid.
What is the SMILES notation for morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
The canonical SMILES for morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid is O=P(O)(CCc1ccccn1)CN1CCOCC1.
What is the InChIKey of morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
The InChIKey is OZWVVTCJUTWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O3P/c15-18(16,11-14-6-8-17-9-7-14)10-4-12-3-1-2-5-13-12/h1-3,5H,4,6-11H2,(H,15,16).
What are the key properties of morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid has a molecular weight of 270.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid is sourced from PubChem (CID 684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).