hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium

C6H13NO2P+ — CID 6347386

IUPAChydroxy-oxo-(piperidin-1-ylmethyl)phosphanium
SMILESO=[P+](O)CN1CCCCC1
InChIInChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2/p+1
InChIKeyCOOQRBASIQNLJV-UHFFFAOYSA-O
MW162.15 g/mol
LogP1.16
Rot. Bonds2

About hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium

hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium (PubChem CID 6347386) has the molecular formula C6H13NO2P+ and a molecular weight of 162.15 g/mol. Its IUPAC name is hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(piperidin-1-ylmethyl)phosphanium
PubChem CID6347386
Molecular FormulaC6H13NO2P+
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Namehydroxy-oxo-(piperidin-1-ylmethyl)phosphanium
SMILESO=[P+](O)CN1CCCCC1
InChIInChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2/p+1
InChIKeyCOOQRBASIQNLJV-UHFFFAOYSA-O
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Bis-phosphono-methyl)-piperidinium
CID 406061
Methyl(piperidin-1-ylmethyl)phosphinic acid
CID 691194
Piperidin-1-ylphosphonic acid
CID 3088179
(Piperidin-1-ylmethyl)phosphonic acid
CID 4491457
Hydroxy-oxo-piperidin-1-ylphosphanium
CID 91805318
Sodium (piperidin-1-ylmethyl)phosphonite
CID 171904708
3-Piperidylpropane-1,2-diphosphonic acid
CID 4534880
1-Ethylpiperidine; oxophosphinous acid
CID 11171315
n-Ethylpiperidine hypophosphite
CID 12163486
(1-Phosphono-2-piperidin-1-ylethyl)phosphonic acid
CID 13211566
(1-Phosphono-3-piperidin-1-ylpropyl)phosphonic acid
CID 56994412
(1,1-Dimethyl-2-phosphonopiperidin-1-ium-2-yl)phosphonic acid
CID 57043834

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium?
The IUPAC name of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium (CID 6347386) is hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium is O=[P+](O)CN1CCCCC1.
What is the InChIKey of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium?
The InChIKey is COOQRBASIQNLJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12NO2P/c8-10(9)6-7-4-2-1-3-5-7/h1-6H2/p+1.
What are the key properties of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium?
hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium has a molecular weight of 162.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium is sourced from PubChem (CID 6347386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).