1-methylpiperidine;phosphorous acid

C6H16NO3P — CID 160777076

IUPAC1-methylpiperidine;phosphorous acid
SMILESCN1CCCCC1.OP(O)O
InChIInChI=1S/C6H13N.H3O3P/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H2,1H3;1-3H
InChIKeySABYBYGSCNGASE-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.29
Rot. Bonds

About 1-methylpiperidine;phosphorous acid

1-methylpiperidine;phosphorous acid (PubChem CID 160777076) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is 1-methylpiperidine;phosphorous acid.

Molecular Properties

Compound Name1-methylpiperidine;phosphorous acid
PubChem CID160777076
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name1-methylpiperidine;phosphorous acid
SMILESCN1CCCCC1.OP(O)O
InChIInChI=1S/C6H13N.H3O3P/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H2,1H3;1-3H
InChIKeySABYBYGSCNGASE-UHFFFAOYSA-N
XLogP0.29
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methylpiperidine;phosphorous acid?
The IUPAC name of 1-methylpiperidine;phosphorous acid (CID 160777076) is 1-methylpiperidine;phosphorous acid.
What is the SMILES notation for 1-methylpiperidine;phosphorous acid?
The canonical SMILES for 1-methylpiperidine;phosphorous acid is CN1CCCCC1.OP(O)O.
What is the InChIKey of 1-methylpiperidine;phosphorous acid?
The InChIKey is SABYBYGSCNGASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.H3O3P/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H2,1H3;1-3H.
What are the key properties of 1-methylpiperidine;phosphorous acid?
1-methylpiperidine;phosphorous acid has a molecular weight of 181.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;phosphorous acid is sourced from PubChem (CID 160777076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).