[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid

C8H19N2O3P — CID 54091761

IUPAC[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid
SMILESCN1CCC(CN)(CP(=O)(O)O)CC1
InChIInChI=1S/C8H19N2O3P/c1-10-4-2-8(6-9,3-5-10)7-14(11,12)13/h2-7,9H2,1H3,(H2,11,12,13)
InChIKeyMUIOXEBRECRUKR-UHFFFAOYSA-N
MW222.22 g/mol
LogP-0.17
Rot. Bonds3

About [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid

[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid (PubChem CID 54091761) has the molecular formula C8H19N2O3P and a molecular weight of 222.22 g/mol. Its IUPAC name is [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid
PubChem CID54091761
Molecular FormulaC8H19N2O3P
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Name[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid
SMILESCN1CCC(CN)(CP(=O)(O)O)CC1
InChIInChI=1S/C8H19N2O3P/c1-10-4-2-8(6-9,3-5-10)7-14(11,12)13/h2-7,9H2,1H3,(H2,11,12,13)
InChIKeyMUIOXEBRECRUKR-UHFFFAOYSA-N
XLogP-0.17
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid?
The IUPAC name of [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid (CID 54091761) is [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid.
What is the SMILES notation for [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid?
The canonical SMILES for [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid is CN1CCC(CN)(CP(=O)(O)O)CC1.
What is the InChIKey of [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid?
The InChIKey is MUIOXEBRECRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O3P/c1-10-4-2-8(6-9,3-5-10)7-14(11,12)13/h2-7,9H2,1H3,(H2,11,12,13).
What are the key properties of [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid?
[4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid has a molecular weight of 222.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-methylpiperidin-4-yl]methylphosphonic acid is sourced from PubChem (CID 54091761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).