(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid

C10H20NO5P — CID 14850696

IUPAC(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid
SMILESCCCOC(=O)C1CC(CP(=O)(O)O)CCN1
InChIInChI=1S/C10H20NO5P/c1-2-5-16-10(12)9-6-8(3-4-11-9)7-17(13,14)15/h8-9,11H,2-7H2,1H3,(H2,13,14,15)
InChIKeyBXJMYVFQTJDZFO-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.49
Rot. Bonds5

About (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid

(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid (PubChem CID 14850696) has the molecular formula C10H20NO5P and a molecular weight of 265.25 g/mol. Its IUPAC name is (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid.

Molecular Properties

Compound Name(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid
PubChem CID14850696
Molecular FormulaC10H20NO5P
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid
SMILESCCCOC(=O)C1CC(CP(=O)(O)O)CCN1
InChIInChI=1S/C10H20NO5P/c1-2-5-16-10(12)9-6-8(3-4-11-9)7-17(13,14)15/h8-9,11H,2-7H2,1H3,(H2,13,14,15)
InChIKeyBXJMYVFQTJDZFO-UHFFFAOYSA-N
XLogP0.49
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
ethyl (2S,4R)-4-(diethoxyphosphorylmethyl)piperidine-2-carboxylate
CID 54250756
propyl piperidine-2-carboxylate
CID 43248024
(3-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)methylphosphonic acid
CID 14877989
pentyl 4-methylpiperidine-2-carboxylate
CID 114425079
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
butyl (2S)-piperidine-2-carboxylate
CID 54130362
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
cyclopentylmethyl 4-methylpiperidine-2-carboxylate
CID 114425097
heptyl pyrrolidine-2-carboxylate
CID 14777077

Frequently Asked Questions

What is the IUPAC name of (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid?
The IUPAC name of (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid (CID 14850696) is (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid.
What is the SMILES notation for (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid?
The canonical SMILES for (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid is CCCOC(=O)C1CC(CP(=O)(O)O)CCN1.
What is the InChIKey of (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid?
The InChIKey is BXJMYVFQTJDZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO5P/c1-2-5-16-10(12)9-6-8(3-4-11-9)7-17(13,14)15/h8-9,11H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid?
(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid has a molecular weight of 265.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid is sourced from PubChem (CID 14850696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).