piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid

C13H21N2O2P — CID 684644

IUPACpiperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
SMILESO=P(O)(CCc1ccccn1)CN1CCCCC1
InChIInChI=1S/C13H21N2O2P/c16-18(17,12-15-9-4-1-5-10-15)11-7-13-6-2-3-8-14-13/h2-3,6,8H,1,4-5,7,9-12H2,(H,16,17)
InChIKeyDXMGXSLERYJGTB-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.34
Rot. Bonds5

About piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid

piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid (PubChem CID 684644) has the molecular formula C13H21N2O2P and a molecular weight of 268.30 g/mol. Its IUPAC name is piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid.

Molecular Properties

Compound Namepiperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
PubChem CID684644
Molecular FormulaC13H21N2O2P
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Namepiperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
SMILESO=P(O)(CCc1ccccn1)CN1CCCCC1
InChIInChI=1S/C13H21N2O2P/c16-18(17,12-15-9-4-1-5-10-15)11-7-13-6-2-3-8-14-13/h2-3,6,8H,1,4-5,7,9-12H2,(H,16,17)
InChIKeyDXMGXSLERYJGTB-UHFFFAOYSA-N
XLogP2.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
The IUPAC name of piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid (CID 684644) is piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid.
What is the SMILES notation for piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
The canonical SMILES for piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid is O=P(O)(CCc1ccccn1)CN1CCCCC1.
What is the InChIKey of piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
The InChIKey is DXMGXSLERYJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O2P/c16-18(17,12-15-9-4-1-5-10-15)11-7-13-6-2-3-8-14-13/h2-3,6,8H,1,4-5,7,9-12H2,(H,16,17).
What are the key properties of piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid?
piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid has a molecular weight of 268.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid is sourced from PubChem (CID 684644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).