1-ethylpiperidine;phosphenous acid

C7H16NO2P — CID 11171315

IUPAC1-ethylpiperidine;phosphenous acid
SMILESCCN1CCCCC1.O=PO
InChIInChI=1S/C7H15N.HO2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;(H,1,2)
InChIKeyVVGYHOYSKCFGPB-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.68
Rot. Bonds1

About 1-ethylpiperidine;phosphenous acid

1-ethylpiperidine;phosphenous acid (PubChem CID 11171315) has the molecular formula C7H16NO2P and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-ethylpiperidine;phosphenous acid.

Molecular Properties

Compound Name1-ethylpiperidine;phosphenous acid
PubChem CID11171315
Molecular FormulaC7H16NO2P
Molecular Weight177.18 g/mol
Exact Mass177.09
IUPAC Name1-ethylpiperidine;phosphenous acid
SMILESCCN1CCCCC1.O=PO
InChIInChI=1S/C7H15N.HO2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;(H,1,2)
InChIKeyVVGYHOYSKCFGPB-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.68
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 1-ethylpiperidine;phosphenous acid?
The IUPAC name of 1-ethylpiperidine;phosphenous acid (CID 11171315) is 1-ethylpiperidine;phosphenous acid.
What is the SMILES notation for 1-ethylpiperidine;phosphenous acid?
The canonical SMILES for 1-ethylpiperidine;phosphenous acid is CCN1CCCCC1.O=PO.
What is the InChIKey of 1-ethylpiperidine;phosphenous acid?
The InChIKey is VVGYHOYSKCFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.HO2P/c1-2-8-6-4-3-5-7-8;1-3-2/h2-7H2,1H3;(H,1,2).
What are the key properties of 1-ethylpiperidine;phosphenous acid?
1-ethylpiperidine;phosphenous acid has a molecular weight of 177.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;phosphenous acid is sourced from PubChem (CID 11171315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).