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

C6H15NO3P+ — CID 71343391

IUPAChydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate
SMILESO.O=[P+](O)CN1CCCCC1
InChIInChI=1S/C6H12NO2P.H2O/c8-10(9)6-7-4-2-1-3-5-7;/h1-6H2;1H2/p+1
InChIKeyDSZFPICIKINDTB-UHFFFAOYSA-O
MW180.16 g/mol
LogP0.34
Rot. Bonds2

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

hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate (PubChem CID 71343391) has the molecular formula C6H15NO3P+ and a molecular weight of 180.16 g/mol. Its IUPAC name is hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate.

Molecular Properties

Compound Namehydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate
PubChem CID71343391
Molecular FormulaC6H15NO3P+
Molecular Weight180.16 g/mol
Exact Mass180.08
IUPAC Namehydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate
SMILESO.O=[P+](O)CN1CCCCC1
InChIInChI=1S/C6H12NO2P.H2O/c8-10(9)6-7-4-2-1-3-5-7;/h1-6H2;1H2/p+1
InChIKeyDSZFPICIKINDTB-UHFFFAOYSA-O
XLogP0.34
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate?
The IUPAC name of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate (CID 71343391) is hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate.
What is the SMILES notation for hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate?
The canonical SMILES for hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate is O.O=[P+](O)CN1CCCCC1.
What is the InChIKey of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate?
The InChIKey is DSZFPICIKINDTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12NO2P.H2O/c8-10(9)6-7-4-2-1-3-5-7;/h1-6H2;1H2/p+1.
What are the key properties of hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate?
hydroxy-oxo-(piperidin-1-ylmethyl)phosphanium;hydrate has a molecular weight of 180.16 g/mol, XLogP of 0.34, 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;hydrate is sourced from PubChem (CID 71343391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).