methyl(piperidin-1-ylmethyl)phosphinic acid

C7H16NO2P — CID 691194

IUPACmethyl(piperidin-1-ylmethyl)phosphinic acid
SMILESCP(=O)(O)CN1CCCCC1
InChIInChI=1S/C7H16NO2P/c1-11(9,10)7-8-5-3-2-4-6-8/h2-7H2,1H3,(H,9,10)
InChIKeyQLNSRCBIQPWSOI-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.33
Rot. Bonds2

About methyl(piperidin-1-ylmethyl)phosphinic acid

methyl(piperidin-1-ylmethyl)phosphinic acid (PubChem CID 691194) has the molecular formula C7H16NO2P and a molecular weight of 177.18 g/mol. Its IUPAC name is methyl(piperidin-1-ylmethyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(piperidin-1-ylmethyl)phosphinic acid
PubChem CID691194
Molecular FormulaC7H16NO2P
Molecular Weight177.18 g/mol
Exact Mass177.09
IUPAC Namemethyl(piperidin-1-ylmethyl)phosphinic acid
SMILESCP(=O)(O)CN1CCCCC1
InChIInChI=1S/C7H16NO2P/c1-11(9,10)7-8-5-3-2-4-6-8/h2-7H2,1H3,(H,9,10)
InChIKeyQLNSRCBIQPWSOI-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl(piperidin-1-ylmethyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Bis-phosphono-methyl)-piperidinium
CID 406061
1-Ethylpiperidine hypophosphite
CID 11492035
Bis(piperidin-1-ylmethyl)phosphinic acid
CID 744993
[(2-Methylpiperidin-1-yl)methylene]bis(phosphonic acid)
CID 5276560
Aminomethyl(piperidin-1-ylmethyl)phosphinic acid
CID 3426377
Piperidin-1-ylmethylphosphonic acid
CID 4491457
Sodium (piperidin-1-ylmethyl)(2-triethylgermylethyl)phosphinate
CID 23693657
Methylaminomethylpiperidinometh ylphosphinic acid
CID 133064877
3-Piperidylpropane-1,2-diphosphonic acid
CID 4534880
Piperidin-1-ylmethyl-phosphinic acid
CID 6347386
1-Ethylpiperidine; oxophosphinous acid
CID 11171315
Phosphonic acid, (1-piperidinylmethyl)-, dimethyl ester
CID 12128504

Frequently Asked Questions

What is the IUPAC name of methyl(piperidin-1-ylmethyl)phosphinic acid?
The IUPAC name of methyl(piperidin-1-ylmethyl)phosphinic acid (CID 691194) is methyl(piperidin-1-ylmethyl)phosphinic acid.
What is the SMILES notation for methyl(piperidin-1-ylmethyl)phosphinic acid?
The canonical SMILES for methyl(piperidin-1-ylmethyl)phosphinic acid is CP(=O)(O)CN1CCCCC1.
What is the InChIKey of methyl(piperidin-1-ylmethyl)phosphinic acid?
The InChIKey is QLNSRCBIQPWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2P/c1-11(9,10)7-8-5-3-2-4-6-8/h2-7H2,1H3,(H,9,10).
What are the key properties of methyl(piperidin-1-ylmethyl)phosphinic acid?
methyl(piperidin-1-ylmethyl)phosphinic acid has a molecular weight of 177.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(piperidin-1-ylmethyl)phosphinic acid is sourced from PubChem (CID 691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).