(2-methylpiperidin-3-yl)phosphonic acid

C6H14NO3P — CID 138723768

IUPAC(2-methylpiperidin-3-yl)phosphonic acid
SMILESCC1NCCCC1P(=O)(O)O
InChIInChI=1S/C6H14NO3P/c1-5-6(11(8,9)10)3-2-4-7-5/h5-7H,2-4H2,1H3,(H2,8,9,10)
InChIKeyCRBZSFLGPADZJG-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.30
Rot. Bonds1

About (2-methylpiperidin-3-yl)phosphonic acid

(2-methylpiperidin-3-yl)phosphonic acid (PubChem CID 138723768) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is (2-methylpiperidin-3-yl)phosphonic acid.

Molecular Properties

Compound Name(2-methylpiperidin-3-yl)phosphonic acid
PubChem CID138723768
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name(2-methylpiperidin-3-yl)phosphonic acid
SMILESCC1NCCCC1P(=O)(O)O
InChIInChI=1S/C6H14NO3P/c1-5-6(11(8,9)10)3-2-4-7-5/h5-7H,2-4H2,1H3,(H2,8,9,10)
InChIKeyCRBZSFLGPADZJG-UHFFFAOYSA-N
XLogP0.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phosphonopiperidine-2-carboxylic acid
CID 14850766
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
(3R)-2,3-dimethylpiperidine
CID 118133422
piperidin-2-ylphosphonic acid
CID 2785326
[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
fluorophosphonic acid;pyrrolidine-2-carboxylic acid
CID 157183973
(2-methylpiperidin-3-yl)methanol
CID 19019552
N-hydroxy-2-methylpiperidine-3-carboxamide
CID 130757003
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-3-yl)phosphonic acid?
The IUPAC name of (2-methylpiperidin-3-yl)phosphonic acid (CID 138723768) is (2-methylpiperidin-3-yl)phosphonic acid.
What is the SMILES notation for (2-methylpiperidin-3-yl)phosphonic acid?
The canonical SMILES for (2-methylpiperidin-3-yl)phosphonic acid is CC1NCCCC1P(=O)(O)O.
What is the InChIKey of (2-methylpiperidin-3-yl)phosphonic acid?
The InChIKey is CRBZSFLGPADZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-5-6(11(8,9)10)3-2-4-7-5/h5-7H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of (2-methylpiperidin-3-yl)phosphonic acid?
(2-methylpiperidin-3-yl)phosphonic acid has a molecular weight of 179.16 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-3-yl)phosphonic acid is sourced from PubChem (CID 138723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).