2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid

C10H20NO4P — CID 145134556

IUPAC2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid
SMILESCCN1CCC(C(=O)OCCP(O)O)CC1
InChIInChI=1S/C10H20NO4P/c1-2-11-5-3-9(4-6-11)10(12)15-7-8-16(13)14/h9,13-14H,2-8H2,1H3
InChIKeyUNFFQGMRNIDKJP-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.56
Rot. Bonds5

About 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid

2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid (PubChem CID 145134556) has the molecular formula C10H20NO4P and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid.

Molecular Properties

Compound Name2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid
PubChem CID145134556
Molecular FormulaC10H20NO4P
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid
SMILESCCN1CCC(C(=O)OCCP(O)O)CC1
InChIInChI=1S/C10H20NO4P/c1-2-11-5-3-9(4-6-11)10(12)15-7-8-16(13)14/h9,13-14H,2-8H2,1H3
InChIKeyUNFFQGMRNIDKJP-UHFFFAOYSA-N
XLogP0.56
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
2-morpholin-4-ylethyl 1-ethylpiperidine-4-carboxylate
CID 118534909
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
hydroxymethyl 1-ethylpyrrolidine-3-carboxylate;hydrochloride
CID 175341292
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
1-ethylpiperidine-4-carboxylate
CID 22406282
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
CID 158385155
[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate
CID 175395420
(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
CID 57101274

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid?
The IUPAC name of 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid (CID 145134556) is 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid.
What is the SMILES notation for 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid?
The canonical SMILES for 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid is CCN1CCC(C(=O)OCCP(O)O)CC1.
What is the InChIKey of 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid?
The InChIKey is UNFFQGMRNIDKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO4P/c1-2-11-5-3-9(4-6-11)10(12)15-7-8-16(13)14/h9,13-14H,2-8H2,1H3.
What are the key properties of 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid?
2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid has a molecular weight of 249.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidine-4-carbonyl)oxyethylphosphonous acid is sourced from PubChem (CID 145134556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).