1-ethylpiperidine;phosphorous acid

C7H18NO3P — CID 159957717

IUPAC1-ethylpiperidine;phosphorous acid
SMILESCCN1CCCCC1.OP(O)O
InChIInChI=1S/C7H15N.H3O3P/c1-2-8-6-4-3-5-7-8;1-4(2)3/h2-7H2,1H3;1-3H
InChIKeyOCXSIHVIJCVHFN-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.68
Rot. Bonds1

About 1-ethylpiperidine;phosphorous acid

1-ethylpiperidine;phosphorous acid (PubChem CID 159957717) has the molecular formula C7H18NO3P and a molecular weight of 195.20 g/mol. Its IUPAC name is 1-ethylpiperidine;phosphorous acid.

Molecular Properties

Compound Name1-ethylpiperidine;phosphorous acid
PubChem CID159957717
Molecular FormulaC7H18NO3P
Molecular Weight195.20 g/mol
Exact Mass195.10
IUPAC Name1-ethylpiperidine;phosphorous acid
SMILESCCN1CCCCC1.OP(O)O
InChIInChI=1S/C7H15N.H3O3P/c1-2-8-6-4-3-5-7-8;1-4(2)3/h2-7H2,1H3;1-3H
InChIKeyOCXSIHVIJCVHFN-UHFFFAOYSA-N
XLogP0.68
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3069227
CID 3069227
CID 6347386
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CID 11171315
CID 11171315
CID 12163486
CID 12163486
CID 57043834
CID 57043834
CID 67615284
CID 67615284
CID 89725387
CID 89725387

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;phosphorous acid?
The IUPAC name of 1-ethylpiperidine;phosphorous acid (CID 159957717) is 1-ethylpiperidine;phosphorous acid.
What is the SMILES notation for 1-ethylpiperidine;phosphorous acid?
The canonical SMILES for 1-ethylpiperidine;phosphorous acid is CCN1CCCCC1.OP(O)O.
What is the InChIKey of 1-ethylpiperidine;phosphorous acid?
The InChIKey is OCXSIHVIJCVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.H3O3P/c1-2-8-6-4-3-5-7-8;1-4(2)3/h2-7H2,1H3;1-3H.
What are the key properties of 1-ethylpiperidine;phosphorous acid?
1-ethylpiperidine;phosphorous acid has a molecular weight of 195.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;phosphorous acid is sourced from PubChem (CID 159957717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).