(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid

C9H19N2O3P — CID 142800838

IUPAC(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid
SMILESO=P(O)(O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C9H19N2O3P/c12-15(13,14)11-7-3-9(4-8-11)10-5-1-2-6-10/h9H,1-8H2,(H2,12,13,14)
InChIKeyWQVULUZDGSYDMJ-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.64
Rot. Bonds2

About (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid

(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid (PubChem CID 142800838) has the molecular formula C9H19N2O3P and a molecular weight of 234.24 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid
PubChem CID142800838
Molecular FormulaC9H19N2O3P
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Name(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid
SMILESO=P(O)(O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C9H19N2O3P/c12-15(13,14)11-7-3-9(4-8-11)10-5-1-2-6-10/h9H,1-8H2,(H2,12,13,14)
InChIKeyWQVULUZDGSYDMJ-UHFFFAOYSA-N
XLogP0.64
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid?
The IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid (CID 142800838) is (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid.
What is the SMILES notation for (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid?
The canonical SMILES for (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid is O=P(O)(O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid?
The InChIKey is WQVULUZDGSYDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O3P/c12-15(13,14)11-7-3-9(4-8-11)10-5-1-2-6-10/h9H,1-8H2,(H2,12,13,14).
What are the key properties of (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid?
(4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid has a molecular weight of 234.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylpiperidin-1-yl)phosphonic acid is sourced from PubChem (CID 142800838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).